data_[Pt4Pb12Au2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0309]
_cell_length_b [12.2157]
_cell_length_c [8.4883]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0588]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pt2Pb6AuBr3]
_chemical_formula_sum '[Pt4 Pb12 Au2 Br6]'
_cell_volume [700.5935]
_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
[
  Pt  Pt0  4  0.0000  0.3339  0.0000  1.0
  Pb  Pb1  8  0.2448  0.1747  0.2101  1.0
  Pb  Pb2  4  0.2208  0.5000  0.2096  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.0000  0.1694  0.5000  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]