data_[Li4Cu4S16]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3640]
_cell_length_b [9.9474]
_cell_length_c [6.8636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.8451]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiCuS4]
_chemical_formula_sum '[Li4 Cu4 S16]'
_cell_volume [479.7669]
_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  0.1293  0.7500  1
  Cu  Cu1  4  0.0000  0.3652  0.2500  1
  S  S2  8  0.1900  0.7684  0.6760  1
  S  S3  8  0.2306  0.4259  0.6069  1
]