data_[Ba2La2In2S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9930]
_cell_length_b [6.9536]
_cell_length_c [8.6266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLaInS4]
_chemical_formula_sum '[Ba2 La2 In2 S8]'
_cell_volume [400.6540]
_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  2  0.2501  0.7500  0.0588  1.0
  La  La1  2  0.2191  0.7500  0.5547  1.0
  In  In2  2  0.2433  0.2500  0.3227  1.0
  S  S3  4  0.0082  0.0115  0.7265  1.0
  S  S4  2  0.4477  0.2500  0.1383  1.0
  S  S5  2  0.4665  0.2500  0.5993  1.0
]