data_[In1Pb4Au5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6008]
_cell_length_b [6.8665]
_cell_length_c [7.2930]
_cell_angle_alpha [104.8367]
_cell_angle_beta [95.3482]
_cell_angle_gamma [103.4687]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [InPb4Au5]
_chemical_formula_sum '[In1 Pb4 Au5]'
_cell_volume [260.1590]
_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  0.0984  0.0392  0.9991  1
  Pb  Pb1  1  0.2391  0.7471  0.5658  1
  Pb  Pb2  1  0.3338  0.3853  0.7781  1
  Pb  Pb3  1  0.6711  0.2171  0.3848  1
  Pb  Pb4  1  0.6830  0.6481  0.2377  1
  Au  Au5  1  0.1393  0.0823  0.3954  1
  Au  Au6  1  0.1791  0.6898  0.1142  1
  Au  Au7  1  0.5640  0.9284  0.9726  1
  Au  Au8  1  0.7864  0.9403  0.6316  1
  Au  Au9  1  0.8161  0.3225  0.9207  1
]