data_[Ba8La4Pb4S20]
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
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3488]
_cell_length_b [18.2099]
_cell_length_c [13.2092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2LaPbS5]
_chemical_formula_sum '[Ba8 La4 Pb4 S20]'
_cell_volume [1046.0564]
_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  4  0.0000  0.1123  0.6878  1.0
  Ba  Ba1  4  0.0000  0.1375  0.3040  1.0
  La  La2  4  0.0000  0.2128  0.0123  1.0
  Pb  Pb3  4  0.0000  0.4716  0.4577  1.0
  S  S4  4  0.0000  0.0523  0.0741  1.0
  S  S5  4  0.0000  0.2846  0.6552  1.0
  S  S6  4  0.0000  0.3188  0.3711  1.0
  S  S7  4  0.0000  0.3676  0.9984  1.0
  S  S8  4  0.0000  0.4908  0.7633  1.0
]