data_[Sr4Pb4Au20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.4783]
_cell_length_b [5.7912]
_cell_length_c [11.5874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SrPbAu5]
_chemical_formula_sum '[Sr4 Pb4 Au20]'
_cell_volume [636.0391]
_cell_formula_units_Z [4]
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
[
  Sr  Sr0  4  0.2479  0.2500  0.0574  1
  Pb  Pb1  4  0.1364  0.7500  0.8544  1
  Au  Au2  8  0.0776  0.0038  0.3084  1
  Au  Au3  4  0.0720  0.7500  0.0904  1
  Au  Au4  4  0.0836  0.2500  0.5195  1
  Au  Au5  4  0.1736  0.2500  0.7556  1
]