data_[Sr12Pb4Au2]
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/c]
_cell_length_a [7.5147]
_cell_length_b [9.0643]
_cell_length_c [13.2883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr6Pb2Au]
_chemical_formula_sum '[Sr12 Pb4 Au2]'
_cell_volume [755.1958]
_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  4  0.1155  0.5338  0.7362  1.0
  Sr  Sr1  4  0.2162  0.1782  0.5605  1.0
  Sr  Sr2  4  0.4001  0.6792  0.5608  1.0
  Pb  Pb3  4  0.2982  0.6142  0.2526  1.0
  Au  Au4  2  0.5000  0.0000  0.5000  1.0
]