data_[Ba8In4Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0914]
_cell_length_b [5.1378]
_cell_length_c [12.2113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0910]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2InSn2]
_chemical_formula_sum '[Ba8 In4 Sn8]'
_cell_volume [731.2258]
_cell_formula_units_Z [4]
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  0.0027  0.0000  0.6694  1.0
  Ba  Ba1  4  0.1817  0.0000  0.1083  1.0
  In  In2  4  0.1994  0.5000  0.3481  1.0
  Sn  Sn3  4  0.0277  0.5000  0.8919  1.0
  Sn  Sn4  4  0.1569  0.5000  0.5721  1.0
]