data_[Sn2Pb2Au2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6049]
_cell_length_b [4.1701]
_cell_length_c [9.5327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6736]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SnPbAuSe3]
_chemical_formula_sum '[Sn2 Pb2 Au2 Se6]'
_cell_volume [333.7311]
_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
[
  Sn  Sn0  2  0.3428  0.7500  0.8509  1.0
  Pb  Pb1  2  0.1683  0.2500  0.1819  1.0
  Au  Au2  2  0.1054  0.2500  0.5173  1.0
  Se  Se3  2  0.1064  0.2500  0.8647  1.0
  Se  Se4  2  0.2731  0.7500  0.5352  1.0
  Se  Se5  2  0.4279  0.7500  0.1718  1.0
]