data_[Na8Ta8S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ta  1.5000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.6634]
_cell_length_b [10.8366]
_cell_length_c [6.3905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTaS3]
_chemical_formula_sum '[Na8 Ta8 S24]'
_cell_volume [934.7004]
_cell_formula_units_Z [8]
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
[
  Na  Na0  4  0.0000  0.1140  0.2500  1.0
  Na  Na1  4  0.0000  0.2808  0.7500  1.0
  Ta  Ta2  8  0.2427  0.0781  0.0292  1.0
  S  S3  8  0.1369  0.0718  0.6472  1.0
  S  S4  8  0.1478  0.2560  0.1008  1.0
  S  S5  8  0.1511  0.4356  0.6454  1.0
]