data_Cd2MoCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2MoCl
_chemical_formula_sum   'Cd2 Mo1 Cl1'
_cell_volume   78.17
_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  0.88  0.0  0.46  1.0
  Cd  Cd1  1  0.88  0.0  0.22  1.0
  Mo  Mo3  1  0.0  0.0  0.34  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Cd2MoCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   3.04
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2MoCl
_chemical_formula_sum   'Cd2 Mo1 Cl1'
_cell_volume   78.17
_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  0.88  0.0  0.22  1.0
  Cd  Cd1  1  0.88  0.0  0.46  1.0
  Mo  Mo2  1  0.0  0.0  0.34  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Cd Cd Mo Cl
Cd Cd Mo Cl 0 2 + o o 1 2 + o o 1 3 + o o 