data_[Na5In1Pb4]
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 [P4/mmm]
_cell_length_a [3.7148]
_cell_length_b [3.7148]
_cell_length_c [20.3350]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Na5InPb4]
_chemical_formula_sum '[Na5 In1 Pb4]'
_cell_volume [280.6244]
_cell_formula_units_Z [1]
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  2  0.5000  0.5000  0.0983  1
  Na  Na1  2  0.5000  0.5000  0.2991  1
  Na  Na2  1  0.5000  0.5000  0.5000  1
  In  In3  1  0.0000  0.0000  0.0000  1
  Pb  Pb4  2  0.0000  0.0000  0.1978  1
  Pb  Pb5  2  0.0000  0.0000  0.4008  1
]