data_[Na4In4Pb4]
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 [P1]
_cell_length_a [6.8896]
_cell_length_b [7.4972]
_cell_length_c [7.9024]
_cell_angle_alpha [70.0399]
_cell_angle_beta [64.7087]
_cell_angle_gamma [78.3241]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaInPb]
_chemical_formula_sum '[Na4 In4 Pb4]'
_cell_volume [346.1161]
_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  1  0.2177  0.8173  0.4050  1.0
  Na  Na1  1  0.7046  0.8170  0.4200  1.0
  Na  Na2  1  0.7847  0.1640  0.5847  1.0
  Na  Na3  1  0.9592  0.8219  0.9209  1.0
  In  In4  1  0.0402  0.1649  0.0875  1.0
  In  In5  1  0.1341  0.4767  0.2488  1.0
  In  In6  1  0.2890  0.1632  0.5682  1.0
  In  In7  1  0.5398  0.1588  0.0912  1.0
  Pb  Pb8  1  0.3727  0.4775  0.7540  1.0
  Pb  Pb9  1  0.4544  0.8226  0.9166  1.0
  Pb  Pb10  1  0.6214  0.4756  0.2552  1.0
  Pb  Pb11  1  0.8811  0.4775  0.7492  1.0
]