data_CuBiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.59
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   96.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiMo2
_chemical_formula_sum   'Cu1 Bi1 Mo2'
_cell_volume   72.54
_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
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.18  0.0  0.64  1.0
  Mo  Mo2  1  0.94  0.3  0.11  1.0
  Mo  Mo3  1  0.41  0.3  0.17  1.0

data_CuBiMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.59
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   96.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiMo2
_chemical_formula_sum   'Cu1 Bi1 Mo2'
_cell_volume   72.54
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.18  0.0  0.64  1.0
  Mo  Mo2  1  0.41  0.3  0.17  1.0
  Mo  Mo3  1  0.94  0.3  0.11  1.0

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