data_KMnBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMnBe
_chemical_formula_sum   'K1 Mn1 Be1'
_cell_volume   78.87
_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
  K  K1  1  0.4  0.4  0.4  1.0
  Mn  Mn2  1  0.11  0.11  0.11  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_KMnBe
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   11.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   KMnBe
_chemical_formula_sum   'K3 Mn3 Be3'
_cell_volume   236.61
_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
  K  K0  3  0.0  0.0  0.6  1.0
  Mn  Mn1  3  0.0  0.0  0.89  1.0
  Be  Be2  3  0.0  0.0  0.0  1.0

K Mn Be
K Mn Be 0 2 o o + 0 2 o + o 0 2 + o o 0 1 o o + 0 1 o + o 0 1 + o o 1 2 o o o 
KBeMn crystallizes in the trigonal R3m space group. K(1) is bonded to three equivalent Be(1) and four equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing KMn4Be3 hexagonal pyramids. All K(1)-Be(1) bond lengths are 2.90 Å. There are three shorter (2.81 Å) and one longer (3.51 Å) K(1)-Mn(1) bond length. Be(1) is bonded in a distorted single-bond geometry to three equivalent K(1) and one Mn(1) atom. The Be(1)-Mn(1) bond length is 1.25 Å. Mn(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Be(1) atom.