data_[Li4Cu2Te4S12]
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
  Te  2.1000  1.4000  1.2933
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4975]
_cell_length_b [11.4112]
_cell_length_c [6.6609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Cu(TeS3)2]
_chemical_formula_sum '[Li4 Cu2 Te4 S12]'
_cell_volume [463.2916]
_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  4  0.0000  0.1642  0.0000  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Te  Te2  4  0.0000  0.3304  0.5000  1.0
  S  S3  8  0.2471  0.3261  0.2528  1.0
  S  S4  4  0.2030  0.0000  0.2790  1.0
]