data_[Sb1Pb2Au7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1273]
_cell_length_b [4.1273]
_cell_length_c [13.4594]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [SbPb2Au7]
_chemical_formula_sum '[Sb1 Pb2 Au7]'
_cell_volume [229.2742]
_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
[
  Sb  Sb0  1  0.5000  0.5000  0.0000  1.0
  Pb  Pb1  2  0.0000  0.5000  0.2569  1.0
  Au  Au2  2  0.0000  0.5000  0.6456  1.0
  Au  Au3  2  0.0000  0.5000  0.8475  1.0
  Au  Au4  1  0.0000  0.0000  0.0000  1.0
  Au  Au5  1  0.0000  0.0000  0.5000  1.0
  Au  Au6  1  0.5000  0.5000  0.5000  1.0
]