data_[Li2Cu2Sb2S6]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9253]
_cell_length_b [3.8235]
_cell_length_c [8.7522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3444]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiCuSbS3]
_chemical_formula_sum '[Li2 Cu2 Sb2 S6]'
_cell_volume [254.4919]
_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
[
  Li  Li0  2  0.2986  0.7500  0.8371  1.0
  Cu  Cu1  2  0.0911  0.2500  0.5813  1.0
  Sb  Sb2  2  0.2091  0.2500  0.1619  1.0
  S  S3  2  0.0811  0.2500  0.8645  1.0
  S  S4  2  0.2088  0.7500  0.5297  1.0
  S  S5  2  0.4224  0.7500  0.1373  1.0
]