data_ZnCr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Cl
_chemical_formula_sum   'Zn1 Cr2 Cl1'
_cell_volume   59.82
_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  0.51  0.0  0.2  1.0
  Cr  Cr1  1  0.51  0.0  0.9  1.0
  Cr  Cr2  1  0.0  0.0  0.32  1.0
  Cl  Cl0  1  0.0  0.0  0.79  1.0

data_ZnCr2Cl
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.88
_cell_length_b   8.08
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   116.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   ZnCr2Cl
_chemical_formula_sum   'Zn1 Cr2 Cl1'
_cell_volume   59.82
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.5  0.8  0.0  1.0
  Cr  Cr1  1  0.0  0.68  0.0  1.0
  Cr  Cr2  1  0.5  0.1  0.0  1.0
  Cl  Cl3  1  0.0  0.21  0.0  1.0

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