data_[Na4Cu4S6]
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 [P1]
_cell_length_a [5.1385]
_cell_length_b [7.3662]
_cell_length_c [20.6282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [92.1749]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Cu2S3]
_chemical_formula_sum '[Na4 Cu4 S6]'
_cell_volume [780.2506]
_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  1  0.0447  0.6488  0.5054  1
  Na  Na1  1  0.2999  0.2960  0.3822  1
  Na  Na2  1  0.3755  0.9220  0.6228  1
  Na  Na3  1  0.7481  0.1590  0.4958  1
  Cu  Cu4  1  0.0730  0.6870  0.3644  1
  Cu  Cu5  1  0.1387  0.3093  0.6211  1
  Cu  Cu6  1  0.5773  0.6681  0.3969  1
  Cu  Cu7  1  0.6418  0.3129  0.6355  1
  S  S8  1  0.2326  0.0055  0.4808  1
  S  S9  1  0.3458  0.9112  0.3861  1
  S  S10  1  0.4080  0.5378  0.6064  1
  S  S11  1  0.5486  0.5165  0.5019  1
  S  S12  1  0.8183  0.4481  0.3638  1
  S  S13  1  0.8781  0.0778  0.6367  1
]