data_[In12Sb1Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1091]
_cell_length_b [5.1091]
_cell_length_c [17.2759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [In12SbPb3]
_chemical_formula_sum '[In12 Sb1 Pb3]'
_cell_volume [450.9491]
_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
[
  In  In0  4  0.0000  0.5000  0.1213  1
  In  In1  4  0.0000  0.5000  0.3733  1
  In  In2  2  0.5000  0.5000  0.2451  1
  In  In3  1  0.5000  0.5000  0.0000  1
  In  In4  1  0.5000  0.5000  0.5000  1
  Sb  Sb5  1  0.0000  0.0000  0.0000  1
  Pb  Pb6  2  0.0000  0.0000  0.2497  1
  Pb  Pb7  1  0.0000  0.0000  0.5000  1
]