data_Bi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.07
_cell_length_b   7.07
_cell_length_c   7.07
_cell_angle_alpha   152.17
_cell_angle_beta   152.17
_cell_angle_gamma   39.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Bi2Mo
_chemical_formula_sum   'Bi2 Mo1'
_cell_volume   76.92
_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  0.0  0.0  0.38  1.0
  Bi  Bi1  1  0.0  0.0  0.91  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Bi2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   109.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Bi2Mo
_chemical_formula_sum   'Bi4 Mo2'
_cell_volume   153.84
_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  0.0  0.0  0.09  1.0
  Bi  Bi1  2  0.0  0.0  0.62  1.0
  Mo  Mo2  2  0.0  0.0  0.0  1.0

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