data_[K4Li4P8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6909]
_cell_length_b [14.9105]
_cell_length_c [5.8679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KLi(PS3)2]
_chemical_formula_sum '[K4 Li4 P8 S24]'
_cell_volume [1087.7341]
_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  0.0000  0.1304  0.2500  1.0
  Li  Li1  4  0.0000  0.4123  0.7500  1.0
  P  P2  8  0.2117  0.4251  0.1476  1.0
  S  S3  8  0.1249  0.3188  0.0232  1.0
  S  S4  8  0.1303  0.0797  0.7897  1.0
  S  S5  8  0.1441  0.4566  0.4526  1.0
]