data_CdMoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.29
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMoCl2
_chemical_formula_sum   'Cd1 Mo1 Cl2'
_cell_volume   76.58
_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  0.49  0.0  0.95  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.84  0.15  0.53  1.0
  Cl  Cl2  1  0.14  0.15  0.36  1.0

data_CdMoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.29
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdMoCl2
_chemical_formula_sum   'Cd1 Mo1 Cl2'
_cell_volume   76.58
_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  0.49  0.0  0.95  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.14  0.15  0.36  1.0
  Cl  Cl3  1  0.84  0.15  0.53  1.0

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