data_LaYMgBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaYMgBe
_chemical_formula_sum   'La1 Y1 Mg1 Be1'
_cell_volume   97.21
_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  0.65  0.65  0.65  1.0
  Y  Y3  1  0.47  0.47  0.47  1.0
  Mg  Mg2  1  0.82  0.82  0.82  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_LaYMgBe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   12.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   LaYMgBe
_chemical_formula_sum   'La3 Y3 Mg3 Be3'
_cell_volume   291.63
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.35  1.0
  Y  Y1  3  0.0  0.0  0.53  1.0
  Mg  Mg2  3  0.0  0.0  0.18  1.0
  Be  Be3  3  0.0  0.0  0.0  1.0

La Y Mg Be
La Y Mg Be 0 1 o o o 0 2 o o o 2 3 + + + 
MgBeLaY crystallizes in the trigonal R3m space group. Mg(1) is bonded in a distorted linear geometry to one Be(1) and one La(1) atom. The Mg(1)-Be(1) bond length is 2.22 Å. The Mg(1)-La(1) bond length is 2.22 Å. Be(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent La(1) atoms. All Be(1)-La(1) bond lengths are 2.99 Å. La(1) is bonded to one Mg(1), three equivalent Be(1), and one Y(1) atom to form distorted corner-sharing LaYMgBe3 trigonal bipyramids. The La(1)-Y(1) bond length is 2.22 Å. Y(1) is bonded in a distorted single-bond geometry to one La(1) atom.