data_[Ba4La2Ce2S12]
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
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3816]
_cell_length_b [7.7575]
_cell_length_c [12.8447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6248]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2LaCeS6]
_chemical_formula_sum '[Ba4 La2 Ce2 S12]'
_cell_volume [605.2559]
_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  0.2767  0.0674  0.2523  1
  La  La1  2  0.5000  0.0000  0.0000  1
  Ce  Ce2  2  0.0000  0.0000  0.5000  1
  S  S3  4  0.1362  0.0373  0.7435  1
  S  S4  4  0.2529  0.7122  0.5589  1
  S  S5  4  0.3455  0.1975  0.5526  1
]