data_[Na8Cu8S8]
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 [Cc]
_cell_length_a [9.9194]
_cell_length_b [8.8745]
_cell_length_c [7.5406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.0994]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [NaCuS]
_chemical_formula_sum '[Na8 Cu8 S8]'
_cell_volume [500.2162]
_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  0.2749  0.1075  0.7933  1
  Na  Na1  4  0.4842  0.3582  0.7110  1
  Cu  Cu2  4  0.1444  0.4764  0.8036  1
  Cu  Cu3  4  0.3329  0.2801  0.1936  1
  S  S4  4  0.1026  0.1303  0.9684  1
  S  S5  4  0.1358  0.3794  0.5302  1
]