data_Cr2BiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BiMo
_chemical_formula_sum   'Cr2 Bi1 Mo1'
_cell_volume   71.7
_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
  Cr  Cr1  1  0.12  0.0  0.9  1.0
  Cr  Cr2  1  0.12  0.0  0.42  1.0
  Bi  Bi0  1  0.0  0.0  0.66  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Cr2BiMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.14
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2BiMo
_chemical_formula_sum   'Cr2 Bi1 Mo1'
_cell_volume   71.7
_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
  Cr  Cr0  1  0.12  0.0  0.42  1.0
  Cr  Cr1  1  0.12  0.0  0.9  1.0
  Bi  Bi2  1  0.0  0.0  0.66  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Cr Cr Bi Mo
Cr Cr Bi Mo 0 3 o o + 0 2 o o o 1 2 o o o 