data_CdMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16
_cell_length_b   8.16
_cell_length_c   2.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMo2
_chemical_formula_sum   'Cd3 Mo6'
_cell_volume   154.1
_cell_formula_units_Z   3
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  0.0  1.0
  Cd  Cd1  1  0.0  0.71  0.34  1.0
  Cd  Cd2  1  0.08  0.36  0.34  1.0
  Mo  Mo3  1  0.71  0.24  0.34  1.0
  Mo  Mo4  1  0.34  0.6  0.0  1.0
  Mo  Mo5  1  0.58  0.0  0.34  1.0
  Mo  Mo6  1  0.79  0.83  0.34  1.0
  Mo  Mo7  1  0.31  0.0  0.0  1.0
  Mo  Mo8  1  0.43  0.47  0.0  1.0

data_CdMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   8.16
_cell_length_c   8.16
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMo2
_chemical_formula_sum   'Cd3 Mo6'
_cell_volume   154.1
_cell_formula_units_Z   3
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  0.0  1.0
  Cd  Cd1  1  0.34  0.0  0.71  1.0
  Cd  Cd2  1  0.34  0.08  0.36  1.0
  Mo  Mo3  1  0.0  0.31  0.0  1.0
  Mo  Mo4  1  0.0  0.34  0.6  1.0
  Mo  Mo5  1  0.0  0.43  0.47  1.0
  Mo  Mo6  1  0.34  0.58  0.0  1.0
  Mo  Mo7  1  0.34  0.71  0.24  1.0
  Mo  Mo8  1  0.34  0.79  0.83  1.0

Cd Cd Cd Mo Mo Mo Mo Mo Mo