data_[Ba1Cr1In2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2656]
_cell_length_b [7.6755]
_cell_length_c [7.6792]
_cell_angle_alpha [119.2684]
_cell_angle_beta [114.3291]
_cell_angle_gamma [90.2834]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCr(InCl3)2]
_chemical_formula_sum '[Ba1 Cr1 In2 Cl6]'
_cell_volume [328.7316]
_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
[
  Ba  Ba0  1  0.5000  0.0000  0.0000  1.0
  Cr  Cr1  1  0.0000  0.5000  0.0000  1.0
  In  In2  2  0.2062  0.2691  0.5609  1.0
  Cl  Cl3  2  0.1208  0.7079  0.8966  1.0
  Cl  Cl4  2  0.2195  0.8399  0.4954  1.0
  Cl  Cl5  2  0.3025  0.3675  0.0401  1.0
]