data_[Na4Ta2Cu2S8]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7981]
_cell_length_b [7.4824]
_cell_length_c [6.7863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2TaCuS4]
_chemical_formula_sum '[Na4 Ta2 Cu2 S8]'
_cell_volume [395.9737]
_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  0.2481  0.6877  0.0042  1.0
  Ta  Ta1  2  0.0000  0.1644  0.9983  1.0
  Cu  Cu2  2  0.0000  0.8353  0.4961  1.0
  S  S3  4  0.2474  0.3210  0.9186  1.0
  S  S4  2  0.0000  0.1072  0.3281  1.0
  S  S5  2  0.0000  0.8997  0.8317  1.0
]