data_[Ba2In4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.9009]
_cell_length_b [7.5115]
_cell_length_c [7.6879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba(InCl4)2]
_chemical_formula_sum '[Ba2 In4 Cl16]'
_cell_volume [768.5500]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1
  In  In1  4  0.2087  0.0000  0.6933  1
  Cl  Cl2  8  0.1216  0.2398  0.7907  1
  Cl  Cl3  4  0.1140  0.5000  0.1937  1
  Cl  Cl4  4  0.1752  0.0000  0.3658  1
]