data_[Li4Ta4Cu4Te4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ta  1.5000  1.4500  0.8200
  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 [Cmcm]
_cell_length_a [3.4825]
_cell_length_b [13.3392]
_cell_length_c [9.8019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiTaCuTeS2]
_chemical_formula_sum '[Li4 Ta4 Cu4 Te4 S8]'
_cell_volume [455.3378]
_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  0.3104  0.2500  1
  Ta  Ta1  4  0.0000  0.5000  0.0000  1
  Cu  Cu2  4  0.0000  0.0273  0.7500  1
  Te  Te3  4  0.0000  0.3809  0.7500  1
  S  S4  8  0.0000  0.1266  0.5650  1
]