data_[Ba6La8Sn8]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4297]
_cell_length_b [8.2853]
_cell_length_c [18.6393]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3(LaSn)4]
_chemical_formula_sum '[Ba6 La8 Sn8]'
_cell_volume [838.5146]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.1068  1
  Ba  Ba1  2  0.0000  0.5000  0.0000  1
  La  La2  8  0.0000  0.2132  0.3291  1
  Sn  Sn3  4  0.0000  0.3107  0.5000  1
  Sn  Sn4  4  0.0000  0.5000  0.2018  1
]