data_ZnMoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   4.26
_cell_length_c   5.63
_cell_angle_alpha   90.0
_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   74.02
_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  0.54  0.13  0.0  1.0
  Mo  Mo2  1  0.0  0.13  0.81  1.0
  Cl  Cl0  1  0.54  0.0  0.81  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_ZnMoCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.26
_cell_length_c   5.63
_cell_angle_alpha   90.0
_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   74.02
_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  0.54  0.13  -0.0  1.0
  Mo  Mo1  1  0.0  0.13  0.81  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.54  0.0  0.81  1.0

Zn Mo Cl Cl
Zn Mo Cl Cl 0 2 o o - 1 3 o o + 