data_[Na4Cu4S4]
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_1/c]
_cell_length_a [6.9956]
_cell_length_b [5.0401]
_cell_length_c [7.6233]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.7853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaCuS]
_chemical_formula_sum '[Na4 Cu4 S4]'
_cell_volume [239.9487]
_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  0.1878  0.6262  0.9194  1.0
  Cu  Cu1  4  0.4440  0.1269  0.1607  1.0
  S  S2  4  0.2684  0.1330  0.7890  1.0
]