# generated using pymatgen
data_NaPaCuS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74728258
_cell_length_b   6.74728345
_cell_length_c   10.40566516
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   146.74941552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaPaCuS3
_chemical_formula_sum   'Na2 Pa2 Cu2 S6'
_cell_volume   259.74508686
_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  0.24854353  0.75145647  0.75000000  1.0
  Na  Na1  1  0.75145647  0.24854353  0.25000000  1.0
  Pa  Pa2  1  0.00000000  0.00000000  0.50000000  1.0
  Pa  Pa3  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu4  1  0.53043399  0.46956601  0.75000000  1.0
  Cu  Cu5  1  0.46956601  0.53043399  0.25000000  1.0
  S  S6  1  0.07548866  0.92451134  0.25000000  1.0
  S  S7  1  0.63598603  0.36401397  0.92515040  1.0
  S  S8  1  0.92451134  0.07548866  0.75000000  1.0
  S  S9  1  0.63598603  0.36401397  0.57484960  1.0
  S  S10  1  0.36401397  0.63598603  0.07484960  1.0
  S  S11  1  0.36401397  0.63598603  0.42515040  1.0