data_[Cs6Sr2La4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  La  1.1000  1.9500  1.1720
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6063]
_cell_length_b [13.1731]
_cell_length_c [8.4436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Sr(LaS3)2]
_chemical_formula_sum '[Cs6 Sr2 La4 S12]'
_cell_volume [807.0563]
_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
[
  Cs  Cs0  4  0.0000  0.1634  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Sr  Sr2  2  0.0000  0.0000  0.0000  1.0
  La  La3  4  0.0000  0.3331  0.0000  1.0
  S  S4  8  0.2364  0.1731  0.1899  1.0
  S  S5  4  0.2169  0.5000  0.1882  1.0
]