data_[In16Ga12Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.1319]
_cell_length_b [9.2180]
_cell_length_c [10.0692]
_cell_angle_alpha [112.5800]
_cell_angle_beta [103.6299]
_cell_angle_gamma [104.1960]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [In16Ga12Pb]
_chemical_formula_sum '[In16 Ga12 Pb1]'
_cell_volume [705.3506]
_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  1  0.0084  0.0165  0.0030  1
  In  In1  1  0.0092  0.3222  0.5963  1
  In  In2  1  0.3276  0.6859  0.6737  1
  In  In3  1  0.3367  0.6647  0.3416  1
  In  In4  1  0.3384  0.9934  0.5947  1
  In  In5  1  0.3666  0.9844  0.9925  1
  In  In6  1  0.3799  0.3553  0.6444  1
  In  In7  1  0.5822  0.9896  0.3283  1
  In  In8  1  0.6052  0.3520  0.0158  1
  In  In9  1  0.6492  0.3649  0.3839  1
  In  In10  1  0.6893  0.7097  0.3803  1
  In  In11  1  0.6925  0.6797  0.6967  1
  In  In12  1  0.7034  0.2978  0.6937  1
  In  In13  1  0.9610  0.9677  0.3311  1
  In  In14  1  0.9785  0.6066  0.3378  1
  In  In15  1  0.9982  0.3744  0.9988  1
  Ga  Ga16  1  0.0239  0.6407  0.8313  1
  Ga  Ga17  1  0.0461  0.8278  0.6740  1
  Ga  Ga18  1  0.1439  0.3478  0.3454  1
  Ga  Ga19  1  0.1484  0.7857  0.1517  1
  Ga  Ga20  1  0.1989  0.1884  0.8168  1
  Ga  Ga21  1  0.3078  0.1307  0.3125  1
  Ga  Ga22  1  0.3431  0.3353  0.1505  1
  Ga  Ga23  1  0.6491  0.0295  0.8323  1
  Ga  Ga24  1  0.6659  0.8728  0.0242  1
  Ga  Ga25  1  0.8051  0.6399  0.9992  1
  Ga  Ga26  1  0.8172  0.2108  0.1894  1
  Ga  Ga27  1  0.8590  0.0302  0.6729  1
  Pb  Pb28  1  0.3651  0.5954  0.9873  1
]