data_[Ba1La1In2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  La  1.1000  1.9500  1.1720
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4768]
_cell_length_b [10.0744]
_cell_length_c [7.8671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaLa(InI4)2]
_chemical_formula_sum '[Ba1 La1 In2 I8]'
_cell_volume [592.4847]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  La  La1  1  0.0000  0.0000  0.0000  1.0
  In  In2  2  0.5000  0.2479  0.5000  1.0
  I  I3  4  0.2422  0.2304  0.8478  1.0
  I  I4  2  0.2526  0.0000  0.3291  1.0
  I  I5  2  0.2836  0.5000  0.3528  1.0
]