data_[Ba1Hf1In2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hf  1.3000  1.5500  0.8500
  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 [6.8626]
_cell_length_b [8.7657]
_cell_length_c [7.2750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.7947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaHf(InCl4)2]
_chemical_formula_sum '[Ba1 Hf1 In2 Cl8]'
_cell_volume [437.1091]
_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
  Hf  Hf1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.5000  0.2429  0.5000  1.0
  Cl  Cl3  4  0.1231  0.2024  0.7939  1.0
  Cl  Cl4  2  0.3088  0.0000  0.1755  1.0
  Cl  Cl5  2  0.3561  0.5000  0.2712  1.0
]