data_[Ba8In4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8395]
_cell_length_b [5.0272]
_cell_length_c [7.1101]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2In]
_chemical_formula_sum '[Ba8 In4]'
_cell_volume [625.8663]
_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  0.0892  0.5000  0.7931  1.0
  Ba  Ba1  4  0.1547  0.0000  0.3201  1.0
  In  In2  4  0.2349  0.0000  0.8625  1.0
]