data_[Ba4La8Cl32]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [13.2057]
_cell_length_b [13.2057]
_cell_length_c [7.9935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [BaLa2Cl8]
_chemical_formula_sum '[Ba4 La8 Cl32]'
_cell_volume [1393.9832]
_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  2  0.0000  0.0000  0.0000  1
  Ba  Ba1  2  0.0000  0.5000  0.7500  1
  La  La2  8  0.1368  0.7896  0.4477  1
  Cl  Cl3  8  0.0267  0.2377  0.6896  1
  Cl  Cl4  8  0.0461  0.1408  0.2934  1
  Cl  Cl5  8  0.0887  0.3907  0.0573  1
  Cl  Cl6  8  0.1730  0.7561  0.0917  1
]