data_[Na4Cu4P8S24]
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
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.3408]
_cell_length_b [12.3901]
_cell_length_c [6.2337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCu(PS3)2]
_chemical_formula_sum '[Na4 Cu4 P8 S24]'
_cell_volume [893.3613]
_cell_formula_units_Z [4]
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  0.0000  0.1269  0.7500  1.0
  Cu  Cu1  4  0.0000  0.2441  0.2500  1.0
  P  P2  8  0.2110  0.4209  0.7000  1.0
  S  S3  8  0.1161  0.0813  0.2042  1.0
  S  S4  8  0.1323  0.2780  0.5932  1.0
  S  S5  8  0.1410  0.4471  0.9728  1.0
]