data_CoBi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.47
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   97.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBi2Mo
_chemical_formula_sum   'Co1 Bi2 Mo1'
_cell_volume   78.1
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.31  0.74  0.92  1.0
  Bi  Bi1  1  0.33  0.74  0.62  1.0
  Mo  Mo3  1  0.6  0.0  0.27  1.0

data_CoBi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.47
_cell_length_c   6.58
_cell_angle_alpha   90.0
_cell_angle_beta   97.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBi2Mo
_chemical_formula_sum   'Co1 Bi2 Mo1'
_cell_volume   78.1
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.31  0.74  0.92  1.0
  Bi  Bi2  1  0.33  0.74  0.62  1.0
  Mo  Mo3  1  0.6  0.0  0.27  1.0

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