data_ZnCrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   146.01
_cell_angle_beta   113.78
_cell_angle_gamma   76.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrCl2
_chemical_formula_sum   'Zn1 Cr1 Cl2'
_cell_volume   86.7
_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  0.63  0.0  0.23  1.0
  Cr  Cr2  1  0.0  0.0  0.4  1.0
  Cl  Cl0  1  0.0  0.0  0.42  1.0
  Cl  Cl1  1  0.0  0.04  0.7  1.0

data_ZnCrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   66.22
_cell_angle_beta   73.01
_cell_angle_gamma   73.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCrCl2
_chemical_formula_sum   'Zn1 Cr1 Cl2'
_cell_volume   86.7
_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  0.6  0.63  0.77  1.0
  Cr  Cr1  1  0.4  0.0  0.6  1.0
  Cl  Cl2  1  0.42  0.0  0.58  1.0
  Cl  Cl3  1  0.7  0.0  0.34  1.0

Zn Cr Cl Cl
Zn Cr Cl Cl 0 2 + o o 0 1 + o o 1 2 o o o 1 3 o o o 2 3 o o o 