data_[Sr2Pb6Au6]
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 [P2_1/m]
_cell_length_a [9.2554]
_cell_length_b [4.9272]
_cell_length_c [9.4670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4984]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr(PbAu)3]
_chemical_formula_sum '[Sr2 Pb6 Au6]'
_cell_volume [379.4110]
_cell_formula_units_Z [2]
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  2  0.3323  0.7500  0.6709  1
  Pb  Pb1  2  0.0342  0.2500  0.7701  1
  Pb  Pb2  2  0.2376  0.2500  0.2771  1
  Pb  Pb3  2  0.2599  0.7500  0.0376  1
  Au  Au4  2  0.0674  0.2500  0.4723  1
  Au  Au5  2  0.4035  0.2500  0.9415  1
  Au  Au6  2  0.4668  0.7500  0.3989  1
]