data_BiMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BiMo2P
_chemical_formula_sum   'Bi1 Mo2 P1'
_cell_volume   79.12
_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
  Bi  Bi0  1  0.59  0.59  0.12  1.0
  Mo  Mo1  1  0.0  0.0  0.4  1.0
  Mo  Mo2  1  0.59  0.59  0.08  1.0
  P  P3  1  0.0  0.0  0.08  1.0

data_BiMo2P
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BiMo2P
_chemical_formula_sum   'Bi2 Mo4 P2'
_cell_volume   158.24
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.09  0.5  0.12  1.0
  Mo  Mo1  2  0.0  0.0  0.4  1.0
  Mo  Mo2  2  0.09  0.5  0.08  1.0
  P  P3  2  0.0  0.0  0.08  1.0

Bi Mo Mo P
Bi Mo Mo P 0 2 o o o 0 1 + + o 0 1 + o o 0 1 o + o 0 1 o o o 0 3 + + o 1 2 - - o 1 2 - o o 1 2 o - o 1 1 + o o 1 1 o + o 1 3 o o o 2 3 + + o 