data_CdBiMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.34
_cell_length_b   9.34
_cell_length_c   9.34
_cell_angle_alpha   19.42
_cell_angle_beta   19.42
_cell_angle_gamma   19.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdBiMo2
_chemical_formula_sum   'Cd1 Bi1 Mo2'
_cell_volume   78.73
_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
  Cd  Cd1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.74  1.0
  Mo  Mo2  1  0.0  0.0  0.82  1.0
  Mo  Mo3  1  0.0  0.0  0.67  1.0

data_CdBiMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   3.15
_cell_length_c   9.34
_cell_angle_alpha   90.0
_cell_angle_beta   101.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdBiMo2
_chemical_formula_sum   'Cd2 Bi2 Mo4'
_cell_volume   157.46
_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
  Cd  Cd0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  2  -0.0  0.0  0.26  1.0
  Mo  Mo2  2  -0.0  0.0  0.33  1.0
  Mo  Mo3  2  -0.0  0.0  0.18  1.0

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