data_BiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   9.09
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMo2
_chemical_formula_sum   'Bi8 Mo16'
_cell_volume   531.35
_cell_formula_units_Z   8
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
  Bi  Bi0  1  0.39  0.39  0.47  1.0
  Bi  Bi1  1  0.47  0.47  0.47  1.0
  Bi  Bi2  1  0.39  0.47  0.39  1.0
  Bi  Bi3  1  0.47  0.39  0.39  1.0
  Bi  Bi4  1  0.69  0.69  0.6  1.0
  Bi  Bi5  1  0.6  0.6  0.6  1.0
  Bi  Bi6  1  0.69  0.6  0.69  1.0
  Bi  Bi7  1  0.6  0.69  0.69  1.0
  Mo  Mo8  1  0.61  0.82  0.82  1.0
  Mo  Mo9  1  0.82  0.61  0.82  1.0
  Mo  Mo10  1  0.61  0.61  0.61  1.0
  Mo  Mo11  1  0.82  0.82  0.61  1.0
  Mo  Mo12  1  0.64  0.64  0.12  1.0
  Mo  Mo13  1  0.16  0.64  0.64  1.0
  Mo  Mo14  1  0.64  0.16  0.64  1.0
  Mo  Mo15  1  0.64  0.12  0.64  1.0
  Mo  Mo16  1  0.12  0.64  0.64  1.0
  Mo  Mo17  1  0.64  0.64  0.16  1.0
  Mo  Mo18  1  0.43  0.43  0.95  1.0
  Mo  Mo19  1  0.91  0.43  0.43  1.0
  Mo  Mo20  1  0.43  0.91  0.43  1.0
  Mo  Mo21  1  0.43  0.95  0.43  1.0
  Mo  Mo22  1  0.95  0.43  0.43  1.0
  Mo  Mo23  1  0.43  0.43  0.91  1.0

data_BiMo2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.09
_cell_length_b   9.09
_cell_length_c   22.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   BiMo2
_chemical_formula_sum   'Bi24 Mo48'
_cell_volume   1594.05
_cell_formula_units_Z   24
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
  Bi  Bi0  9  0.03  0.06  0.59  1.0
  Bi  Bi1  9  0.06  0.03  0.34  1.0
  Bi  Bi2  3  0.0  0.0  0.4  1.0
  Bi  Bi3  3  0.0  0.0  0.53  1.0
  Mo  Mo4  9  0.01  0.51  0.86  1.0
  Mo  Mo5  9  0.01  0.51  0.08  1.0
  Mo  Mo6  9  0.14  0.07  0.25  1.0
  Mo  Mo7  9  0.17  0.35  0.18  1.0
  Mo  Mo8  9  0.17  0.35  0.4  1.0
  Mo  Mo9  3  0.0  0.0  0.39  1.0

Bi Bi Bi Bi Bi Bi Bi Bi Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo
Bi Bi Bi Bi Bi Bi Bi Bi Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo 0 3 o o o 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 4 6 o o o 4 7 o o o 4 11 o o o 5 10 o o o 6 7 o o o 6 9 o o o 7 8 o o o 8 9 o o o 8 11 o o o 9 11 o o o 12 17 o o o 13 16 o o o 14 15 o o o 18 23 o o o 19 22 o o o 20 21 o o o 