data_[Ba8In4Cl2]
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 [15.0747]
_cell_length_b [4.8400]
_cell_length_c [10.1303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba4In2Cl]
_chemical_formula_sum '[Ba8 In4 Cl2]'
_cell_volume [602.6785]
_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  4  0.0868  0.0000  0.3824  1
  Ba  Ba1  4  0.1728  0.5000  0.0845  1
  In  In2  4  0.1150  0.5000  0.6721  1
  Cl  Cl3  2  0.0000  0.0000  0.0000  1
]