data_[Mg2Ga2Pb4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2009]
_cell_length_b [4.7066]
_cell_length_c [8.7761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.8727]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgGa(PbAu3)2]
_chemical_formula_sum '[Mg2 Ga2 Pb4 Au12]'
_cell_volume [424.5162]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb2  4  0.2498  0.0000  0.8619  1.0
  Au  Au3  4  0.0518  0.0000  0.3935  1.0
  Au  Au4  4  0.0520  0.5000  0.2061  1.0
  Au  Au5  4  0.2452  0.5000  0.6376  1.0
]