data_[In2Ni2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [18.3966]
_cell_length_b [9.3654]
_cell_length_c [5.9856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [InNiCl3]
_chemical_formula_sum '[In2 Ni2 Cl6]'
_cell_volume [1031.2672]
_cell_formula_units_Z [2]
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
[
  In  In0  2  0.5000  0.1565  0.1495  1
  Ni  Ni1  2  0.5000  0.4697  0.6317  1
  Cl  Cl2  4  0.4077  0.3822  0.1329  1
  Cl  Cl3  2  0.5000  0.2362  0.6331  1
]