data_[K4La4P8S24]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [12.0620]
_cell_length_b [7.6078]
_cell_length_c [11.4257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7202]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [KLa(PS3)2]
_chemical_formula_sum '[K4 La4 P8 S24]'
_cell_volume [986.9937]
_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
[
  K  K0  4  0.3700  0.5932  0.6255  1
  La  La1  4  0.1492  0.1068  0.4031  1
  P  P2  4  0.1720  0.6016  0.2468  1
  P  P3  4  0.2907  0.1188  0.7338  1
  S  S4  4  0.0549  0.0166  0.8170  1
  S  S5  4  0.0892  0.6845  0.0687  1
  S  S6  4  0.1749  0.1935  0.1387  1
  S  S7  4  0.2765  0.7123  0.8565  1
  S  S8  4  0.3711  0.2043  0.9099  1
  S  S9  4  0.3860  0.0255  0.6332  1
]