data_CoBi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   126.82
_cell_angle_beta   119.72
_cell_angle_gamma   84.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBi2Mo
_chemical_formula_sum   'Co1 Bi2 Mo1'
_cell_volume   78.16
_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  0.19  0.0  0.64  1.0
  Bi  Bi1  1  0.0  0.46  0.99  1.0
  Mo  Mo3  1  0.0  0.0  0.62  1.0

data_CoBi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   60.28
_cell_angle_beta   63.41
_cell_angle_gamma   63.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoBi2Mo
_chemical_formula_sum   'Co1 Bi2 Mo1'
_cell_volume   78.16
_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  0.45  0.19  0.36  1.0
  Bi  Bi2  1  0.99  0.0  0.47  1.0
  Mo  Mo3  1  0.62  0.0  0.38  1.0

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