data_[Na6Pa2Pb4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pa  1.5000  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2404]
_cell_length_b [12.5430]
_cell_length_c [7.0356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3Pa(PbS3)2]
_chemical_formula_sum '[Na6 Pa2 Pb4 S12]'
_cell_volume [598.9310]
_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  4  0.0000  0.1709  0.5000  1
  Na  Na1  2  0.0000  0.5000  0.5000  1
  Pa  Pa2  2  0.0000  0.0000  0.0000  1
  Pb  Pb3  4  0.0000  0.3339  0.0000  1
  S  S4  8  0.2301  0.8487  0.2354  1
  S  S5  4  0.2241  0.0000  0.7703  1
]