data_[Li4Cu4P8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  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 [12.5870]
_cell_length_b [12.2602]
_cell_length_c [6.0560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9338]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiCu(PS3)2]
_chemical_formula_sum '[Li4 Cu4 P8 S24]'
_cell_volume [847.4572]
_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
[
  Li  Li0  4  0.0000  0.1959  0.2500  1.0
  Cu  Cu1  4  0.0000  0.2253  0.7500  1.0
  P  P2  8  0.2213  0.4155  0.2382  1.0
  S  S3  8  0.1040  0.0835  0.6306  1.0
  S  S4  8  0.1433  0.2691  0.1160  1.0
  S  S5  8  0.1472  0.4497  0.4956  1.0
]