data_[Ba1Ti1In2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.6500]
_cell_length_b [8.6102]
_cell_length_c [7.1453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8167]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaTi(InCl4)2]
_chemical_formula_sum '[Ba1 Ti1 In2 Cl8]'
_cell_volume [408.9192]
_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  0.0000  0.5000  0.0000  1.0
  Ti  Ti1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.5000  0.2357  0.5000  1.0
  Cl  Cl3  4  0.1218  0.1980  0.7922  1.0
  Cl  Cl4  2  0.3028  0.0000  0.1648  1.0
  Cl  Cl5  2  0.3705  0.5000  0.2688  1.0
]