data_[Sr2Pb3Au1]
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 [Pmm2]
_cell_length_a [3.8558]
_cell_length_b [5.0661]
_cell_length_c [9.7539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sr2Pb3Au]
_chemical_formula_sum '[Sr2 Pb3 Au1]'
_cell_volume [190.5285]
_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
[
  Sr  Sr0  1  0.0000  0.0000  0.4810  1
  Sr  Sr1  1  0.0000  0.5000  0.0275  1
  Pb  Pb2  1  0.5000  0.0000  0.1856  1
  Pb  Pb3  1  0.5000  0.0000  0.8357  1
  Pb  Pb4  1  0.5000  0.5000  0.6389  1
  Au  Au5  1  0.5000  0.5000  0.3312  1
]