data_CdCu2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.32
_cell_length_b   9.32
_cell_length_c   9.32
_cell_angle_alpha   17.09
_cell_angle_beta   17.09
_cell_angle_gamma   17.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdCu2Mo
_chemical_formula_sum   'Cd1 Cu2 Mo1'
_cell_volume   61.04
_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  Cd0  1  0.0  0.0  0.77  1.0
  Cu  Cu1  1  0.0  0.0  0.57  1.0
  Cu  Cu2  1  0.0  0.0  0.98  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_CdCu2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   2.77
_cell_length_c   9.32
_cell_angle_alpha   90.0
_cell_angle_beta   99.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdCu2Mo
_chemical_formula_sum   'Cd2 Cu4 Mo2'
_cell_volume   122.08
_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  0.23  1.0
  Cu  Cu1  2  -0.0  0.0  0.43  1.0
  Cu  Cu2  2  -0.0  0.0  0.02  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Cd Cu Cu Mo