data_[K2La2Si2S8]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6439]
_cell_length_b [6.6427]
_cell_length_c [8.8517]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KLaSiS4]
_chemical_formula_sum '[K2 La2 Si2 S8]'
_cell_volume [374.0859]
_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  2  0.2733  0.2500  0.0662  1.0
  La  La1  2  0.2338  0.2500  0.5522  1.0
  Si  Si2  2  0.2153  0.7500  0.3173  1.0
  S  S3  4  0.0060  0.0010  0.2781  1.0
  S  S4  2  0.3936  0.7500  0.5612  1.0
  S  S5  2  0.4108  0.7500  0.1666  1.0
]