data_[Na4Ta4S16]
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 [7.2749]
_cell_length_b [12.8550]
_cell_length_c [6.4748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaTaS4]
_chemical_formula_sum '[Na4 Ta4 S16]'
_cell_volume [597.0560]
_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
[
  Na  Na0  4  0.0000  0.3553  0.2500  1
  Ta  Ta1  4  0.0000  0.0587  0.7500  1
  S  S2  8  0.0964  0.7710  0.1484  1
  S  S3  8  0.2305  0.9905  0.5407  1
]