data_CuBiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44
_cell_length_b   3.44
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuBiMo2
_chemical_formula_sum   'Cu1 Bi1 Mo2'
_cell_volume   71.52
_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  0.0  0.0  0.02  1.0
  Mo  Mo2  1  0.72  0.72  0.18  1.0
  Mo  Mo3  1  0.72  0.72  0.86  1.0

data_CuBiMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   4.87
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuBiMo2
_chemical_formula_sum   'Cu2 Bi2 Mo4'
_cell_volume   143.04
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  0.0  0.0  0.02  1.0
  Mo  Mo2  2  0.22  0.5  0.18  1.0
  Mo  Mo3  2  0.22  0.5  0.86  1.0

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