data_CrInCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   3.66
_cell_angle_alpha   106.09
_cell_angle_beta   106.09
_cell_angle_gamma   100.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInCl2
_chemical_formula_sum   'Cr1 In1 Cl2'
_cell_volume   98.59
_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
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.53  0.0  0.0  1.0
  Cl  Cl0  1  0.97  0.88  0.65  1.0
  Cl  Cl1  1  0.97  0.12  0.65  1.0

data_CrInCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   100.58
_cell_angle_beta   106.09
_cell_angle_gamma   106.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrInCl2
_chemical_formula_sum   'Cr1 In1 Cl2'
_cell_volume   98.59
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.53  0.0  1.0
  Cl  Cl2  1  0.65  0.97  0.12  1.0
  Cl  Cl3  1  0.65  0.97  0.88  1.0

Cr In Cl Cl