data_ReBiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.16
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBiMo2
_chemical_formula_sum   'Re1 Bi1 Mo2'
_cell_volume   73.99
_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
  Re  Re3  1  0.0  0.0  0.58  1.0
  Bi  Bi0  1  0.54  0.08  0.36  1.0
  Mo  Mo1  1  0.0  0.0  0.23  1.0
  Mo  Mo2  1  0.54  0.08  0.51  1.0

data_ReBiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.16
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBiMo2
_chemical_formula_sum   'Re1 Bi1 Mo2'
_cell_volume   73.99
_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
  Re  Re0  1  0.0  0.0  0.58  1.0
  Bi  Bi1  1  0.54  0.08  0.36  1.0
  Mo  Mo2  1  0.0  0.0  0.23  1.0
  Mo  Mo3  1  0.54  0.08  0.51  1.0

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