data_[Na6Cu8S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [7.9568]
_cell_length_b [3.7494]
_cell_length_c [12.7353]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na3(CuS)4]
_chemical_formula_sum '[Na6 Cu8 S8]'
_cell_volume [379.9375]
_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  0.2969  0.0000  0.3904  1.0
  Na  Na1  2  0.0000  0.0000  0.2686  1.0
  Cu  Cu2  4  0.2477  0.0000  0.0901  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5822  1.0
  Cu  Cu4  2  0.5000  0.0000  0.6136  1.0
  S  S5  4  0.2443  0.0000  0.7050  1.0
  S  S6  2  0.0000  0.0000  0.9719  1.0
  S  S7  2  0.5000  0.0000  0.9910  1.0
]