data_[Na6In16Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.9708]
_cell_length_b [11.8714]
_cell_length_c [14.3495]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Na3In8Pb3]
_chemical_formula_sum '[Na6 In16 Pb6]'
_cell_volume [846.7710]
_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  0.0000  0.2026  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  In  In2  8  0.0000  0.2729  0.3440  1.0
  In  In3  8  0.0000  0.3779  0.1530  1.0
  Pb  Pb4  4  0.0000  0.1893  0.0000  1.0
  Pb  Pb5  2  0.0000  0.5000  0.5000  1.0
]