data_La2MnBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MnBe
_chemical_formula_sum   'La2 Mn1 Be1'
_cell_volume   85.88
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  La  La1  1  0.5  0.5  0.5  1.0
  La  La2  1  0.75  0.75  0.75  1.0
  Mn  Mn3  1  0.25  0.25  0.25  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_La2MnBe
_symmetry_space_group_name_H-M   F-43m
_cell_length_a   7.0
_cell_length_b   7.0
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   216
_chemical_formula_structural   La2MnBe
_chemical_formula_sum   'La8 Mn4 Be4'
_cell_volume   343.51
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'y, -x, -z'
  3  '-x, -y, z'
  4  '-y, x, -z'
  5  'x, -y, -z'
  6  'y, x, z'
  7  '-x, y, -z'
  8  '-y, -x, z'
  9  'z, x, y'
  10  '-z, y, -x'
  11  'z, -x, -y'
  12  '-z, -y, x'
  13  '-z, x, -y'
  14  'z, y, x'
  15  '-z, -x, y'
  16  'z, -y, -x'
  17  'y, z, x'
  18  '-x, -z, y'
  19  '-y, z, -x'
  20  'x, -z, -y'
  21  '-y, -z, x'
  22  'x, z, y'
  23  'y, -z, -x'
  24  '-x, z, -y'
  25  'x+1/2, y+1/2, z'
  26  'y+1/2, -x+1/2, -z'
  27  '-x+1/2, -y+1/2, z'
  28  '-y+1/2, x+1/2, -z'
  29  'x+1/2, -y+1/2, -z'
  30  'y+1/2, x+1/2, z'
  31  '-x+1/2, y+1/2, -z'
  32  '-y+1/2, -x+1/2, z'
  33  'z+1/2, x+1/2, y'
  34  '-z+1/2, y+1/2, -x'
  35  'z+1/2, -x+1/2, -y'
  36  '-z+1/2, -y+1/2, x'
  37  '-z+1/2, x+1/2, -y'
  38  'z+1/2, y+1/2, x'
  39  '-z+1/2, -x+1/2, y'
  40  'z+1/2, -y+1/2, -x'
  41  'y+1/2, z+1/2, x'
  42  '-x+1/2, -z+1/2, y'
  43  '-y+1/2, z+1/2, -x'
  44  'x+1/2, -z+1/2, -y'
  45  '-y+1/2, -z+1/2, x'
  46  'x+1/2, z+1/2, y'
  47  'y+1/2, -z+1/2, -x'
  48  '-x+1/2, z+1/2, -y'
  49  'x+1/2, y, z+1/2'
  50  'y+1/2, -x, -z+1/2'
  51  '-x+1/2, -y, z+1/2'
  52  '-y+1/2, x, -z+1/2'
  53  'x+1/2, -y, -z+1/2'
  54  'y+1/2, x, z+1/2'
  55  '-x+1/2, y, -z+1/2'
  56  '-y+1/2, -x, z+1/2'
  57  'z+1/2, x, y+1/2'
  58  '-z+1/2, y, -x+1/2'
  59  'z+1/2, -x, -y+1/2'
  60  '-z+1/2, -y, x+1/2'
  61  '-z+1/2, x, -y+1/2'
  62  'z+1/2, y, x+1/2'
  63  '-z+1/2, -x, y+1/2'
  64  'z+1/2, -y, -x+1/2'
  65  'y+1/2, z, x+1/2'
  66  '-x+1/2, -z, y+1/2'
  67  '-y+1/2, z, -x+1/2'
  68  'x+1/2, -z, -y+1/2'
  69  '-y+1/2, -z, x+1/2'
  70  'x+1/2, z, y+1/2'
  71  'y+1/2, -z, -x+1/2'
  72  '-x+1/2, z, -y+1/2'
  73  'x, y+1/2, z+1/2'
  74  'y, -x+1/2, -z+1/2'
  75  '-x, -y+1/2, z+1/2'
  76  '-y, x+1/2, -z+1/2'
  77  'x, -y+1/2, -z+1/2'
  78  'y, x+1/2, z+1/2'
  79  '-x, y+1/2, -z+1/2'
  80  '-y, -x+1/2, z+1/2'
  81  'z, x+1/2, y+1/2'
  82  '-z, y+1/2, -x+1/2'
  83  'z, -x+1/2, -y+1/2'
  84  '-z, -y+1/2, x+1/2'
  85  '-z, x+1/2, -y+1/2'
  86  'z, y+1/2, x+1/2'
  87  '-z, -x+1/2, y+1/2'
  88  'z, -y+1/2, -x+1/2'
  89  'y, z+1/2, x+1/2'
  90  '-x, -z+1/2, y+1/2'
  91  '-y, z+1/2, -x+1/2'
  92  'x, -z+1/2, -y+1/2'
  93  '-y, -z+1/2, x+1/2'
  94  'x, z+1/2, y+1/2'
  95  'y, -z+1/2, -x+1/2'
  96  '-x, z+1/2, -y+1/2'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  La  La0  4  0.0  0.0  0.5  1.0
  La  La1  4  0.25  0.25  0.25  1.0
  Mn  Mn2  4  0.25  0.25  0.75  1.0
  Be  Be3  4  0.0  0.0  0.0  1.0

La La Mn Be
La La Mn Be 0 3 o o + 0 3 o + o 0 3 o + + 0 3 + o o 0 3 + o + 0 3 + + o 0 2 o o o 0 2 o o + 0 2 + o o 0 2 o + o 0 1 o - o 0 1 - o o 0 1 o o - 0 1 o o o 1 3 + o + 1 3 o + + 1 3 + + o 1 3 + + + 1 2 o o + 1 2 o + o 1 2 o + + 1 2 + o o 1 2 + o + 1 2 + + o 2 3 o o o 2 3 o o + 2 3 o + o 2 3 + o o 
BeLa2Mn is Zintl Phase-derived structured and crystallizes in the trigonal R3m space group. Be(1) is bonded in a 14-coordinate geometry to four equivalent La(2), six equivalent La(1), and four equivalent Mn(1) atoms. There is one shorter (3.02 Å) and three longer (3.04 Å) Be(1)-La(2) bond lengths. There are three shorter (3.49 Å) and three longer (3.51 Å) Be(1)-La(1) bond lengths. There are three shorter (3.02 Å) and one longer (3.06 Å) Be(1)-Mn(1) bond length. There are two inequivalent La sites. In the first La site, La(1) is bonded to six equivalent Be(1) and four equivalent Mn(1) atoms to form distorted LaMn4Be6 tetrahedra that share corners with six equivalent La(1)Mn4Be6 tetrahedra, edges with twelve equivalent La(2)Mn6Be4 tetrahedra, faces with four equivalent La(2)Mn6Be4 tetrahedra, and faces with twelve equivalent La(1)Mn4Be6 tetrahedra. There is one shorter (3.02 Å) and three longer (3.04 Å) La(1)-Mn(1) bond lengths. In the second La site, La(2) is bonded to four equivalent Be(1) and six equivalent Mn(1) atoms to form distorted LaMn6Be4 tetrahedra that share corners with six equivalent La(2)Mn6Be4 tetrahedra, edges with twelve equivalent La(1)Mn4Be6 tetrahedra, faces with four equivalent La(1)Mn4Be6 tetrahedra, and faces with twelve equivalent La(2)Mn6Be4 tetrahedra. There are three shorter (3.49 Å) and three longer (3.51 Å) La(2)-Mn(1) bond lengths. Mn(1) is bonded in a 14-coordinate geometry to four equivalent Be(1), four equivalent La(1), and six equivalent La(2) atoms.