data_Cd3Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.35
_cell_angle_alpha   101.42
_cell_angle_beta   101.42
_cell_angle_gamma   31.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Mo
_chemical_formula_sum   'Cd3 Mo1'
_cell_volume   77.77
_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  0.73  0.0  0.99  1.0
  Cd  Cd1  1  0.37  0.0  0.24  1.0
  Cd  Cd2  1  0.55  0.0  0.62  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_Cd3Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   5.3
_cell_length_c   5.35
_cell_angle_alpha   101.42
_cell_angle_beta   90.0
_cell_angle_gamma   105.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd3Mo
_chemical_formula_sum   'Cd3 Mo1'
_cell_volume   77.77
_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  0.27  0.01  1.0
  Cd  Cd1  1  0.0  0.45  0.38  1.0
  Cd  Cd2  1  0.0  0.63  0.76  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Cd Cd Cd Mo