data_[In18Ga3Pb36]
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 [R-3]
_cell_length_a [15.0660]
_cell_length_b [15.0660]
_cell_length_c [8.7615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [In6GaPb12]
_chemical_formula_sum '[In18 Ga3 Pb36]'
_cell_volume [1722.2675]
_cell_formula_units_Z [3]
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  18  0.0153  0.8811  0.6695  1.0
  Ga  Ga1  3  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  18  0.0355  0.7571  0.3413  1.0
  Pb  Pb3  18  0.0729  0.5118  0.6644  1.0
]