data_[K10La2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5824]
_cell_length_b [8.3274]
_cell_length_c [17.3531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K5LaS4]
_chemical_formula_sum '[K10 La2 S8]'
_cell_volume [662.1863]
_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
[
  K  K0  8  0.0000  0.2418  0.1731  1.0
  K  K1  2  0.0000  0.0000  0.5000  1.0
  La  La2  2  0.0000  0.5000  0.5000  1.0
  S  S3  4  0.0000  0.2303  0.0000  1.0
  S  S4  4  0.0000  0.5000  0.3238  1.0
]