data_[Li8Ta2S10]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I4]
_cell_length_a [8.1505]
_cell_length_b [8.1505]
_cell_length_c [5.2281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Li4TaS5]
_chemical_formula_sum '[Li8 Ta2 S10]'
_cell_volume [347.3068]
_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  8  0.1007  0.6960  0.4906  1
  Ta  Ta1  2  0.0000  0.0000  0.0701  1
  S  S2  8  0.0913  0.7210  0.9927  1
  S  S3  2  0.0000  0.0000  0.5073  1
]