data_ZnMoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   3.23
_cell_length_c   7.1
_cell_angle_alpha   90.0
_cell_angle_beta   101.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnMoCl2
_chemical_formula_sum   'Zn1 Mo1 Cl2'
_cell_volume   82.06
_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
  Zn  Zn3  1  0.25  0.0  0.02  1.0
  Mo  Mo2  1  0.43  0.62  0.04  1.0
  Cl  Cl0  1  0.15  0.62  0.56  1.0
  Cl  Cl1  1  0.51  0.0  0.82  1.0

data_ZnMoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.65
_cell_length_c   7.1
_cell_angle_alpha   101.56
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnMoCl2
_chemical_formula_sum   'Zn1 Mo1 Cl2'
_cell_volume   82.06
_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
  Zn  Zn0  1  0.0  0.75  0.98  1.0
  Mo  Mo1  1  0.38  0.57  0.96  1.0
  Cl  Cl2  1  0.0  0.49  0.18  1.0
  Cl  Cl3  1  0.38  0.85  0.44  1.0

Zn Mo Cl Cl