data_[Sc2Pb2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.4277]
_cell_length_b [3.6336]
_cell_length_c [5.3096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ScPbAu2]
_chemical_formula_sum '[Sc2 Pb2 Au4]'
_cell_volume [176.5385]
_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
[
  Sc  Sc0  2  0.2646  0.0000  0.8119  1
  Pb  Pb1  2  0.4962  0.0000  0.4843  1
  Au  Au2  2  0.2421  0.5000  0.2235  1
  Au  Au3  2  0.4971  0.5000  0.9803  1
]