data_[Na4Ta2Au2S8]
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
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.2553]
_cell_length_b [7.3504]
_cell_length_c [7.0559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2TaAuS4]
_chemical_formula_sum '[Na4 Ta2 Au2 S8]'
_cell_volume [428.1542]
_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
[
  Na  Na0  4  0.2499  0.7277  0.0248  1.0
  Ta  Ta1  2  0.0000  0.1777  0.0068  1.0
  Au  Au2  2  0.0000  0.7223  0.4422  1.0
  S  S3  4  0.2237  0.3523  0.9198  1.0
  S  S4  2  0.0000  0.1085  0.3192  1.0
  S  S5  2  0.0000  0.9148  0.8426  1.0
]