data_[Sn2Pb1Au1Se4]
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/m]
_cell_length_a [7.2771]
_cell_length_b [4.2008]
_cell_length_c [7.3438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7936]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sn2PbAuSe4]
_chemical_formula_sum '[Sn2 Pb1 Au1 Se4]'
_cell_volume [209.8717]
_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
[
  Sn  Sn0  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn1  1  0.5000  0.5000  0.0000  1.0
  Pb  Pb2  1  0.5000  0.0000  0.5000  1.0
  Au  Au3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  2  0.2335  0.0000  0.7409  1.0
  Se  Se5  2  0.2426  0.5000  0.2432  1.0
]