data_[Na10Cu4S10]
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 [I4mm]
_cell_length_a [8.9503]
_cell_length_b [8.9503]
_cell_length_c [6.4370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Na5Cu2S5]
_chemical_formula_sum '[Na10 Cu4 S10]'
_cell_volume [515.6616]
_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  8  0.2022  0.7978  0.3277  1.0
  Na  Na1  2  0.0000  0.0000  0.8902  1.0
  Cu  Cu2  4  0.0000  0.5000  0.2543  1.0
  S  S3  8  0.0000  0.3190  0.0048  1.0
  S  S4  2  0.0000  0.0000  0.4642  1.0
]