data_[Ba8Li8In4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.1711]
_cell_length_b [6.6989]
_cell_length_c [9.5599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1710]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ba2Li2In]
_chemical_formula_sum '[Ba8 Li8 In4]'
_cell_volume [696.5959]
_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  8  0.1529  0.3790  0.6551  1.0
  Li  Li1  8  0.1125  0.1110  0.9974  1.0
  In  In2  4  0.0000  0.1471  0.2500  1.0
]