data_[Na14Cu24S20]
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 [P2/m]
_cell_length_a [16.1622]
_cell_length_b [3.7872]
_cell_length_c [16.2289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na7(Cu6S5)2]
_chemical_formula_sum '[Na14 Cu24 S20]'
_cell_volume [993.3296]
_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  2  0.1190  0.0000  0.7091  1
  Na  Na1  2  0.1976  0.0000  0.9150  1
  Na  Na2  2  0.2025  0.5000  0.3934  1
  Na  Na3  2  0.2806  0.5000  0.5935  1
  Na  Na4  2  0.3153  0.0000  0.1042  1
  Na  Na5  2  0.3940  0.0000  0.3040  1
  Na  Na6  1  0.0000  0.5000  0.0000  1
  Na  Na7  1  0.5000  0.5000  0.0000  1
  Cu  Cu8  2  0.0133  0.5000  0.1966  1
  Cu  Cu9  2  0.0463  0.0000  0.4342  1
  Cu  Cu10  2  0.0744  0.5000  0.5509  1
  Cu  Cu11  2  0.0873  0.0000  0.2778  1
  Cu  Cu12  2  0.1115  0.0000  0.1075  1
  Cu  Cu13  2  0.1872  0.5000  0.1942  1
  Cu  Cu14  2  0.3237  0.0000  0.7520  1
  Cu  Cu15  2  0.3492  0.5000  0.8657  1
  Cu  Cu16  2  0.4120  0.0000  0.5014  1
  Cu  Cu17  2  0.4473  0.5000  0.7329  1
  Cu  Cu18  2  0.4763  0.0000  0.8471  1
  Cu  Cu19  2  0.4912  0.5000  0.5803  1
  S  S20  2  0.0222  0.5000  0.3442  1
  S  S21  2  0.0293  0.0000  0.8644  1
  S  S22  2  0.1534  0.0000  0.5285  1
  S  S23  2  0.1745  0.5000  0.0532  1
  S  S24  2  0.2265  0.0000  0.2628  1
  S  S25  2  0.2432  0.5000  0.7676  1
  S  S26  2  0.3697  0.5000  0.4380  1
  S  S27  2  0.3735  0.0000  0.9419  1
  S  S28  2  0.4222  0.0000  0.6458  1
  S  S29  2  0.4438  0.5000  0.1754  1
]