data_[Sn1Bi1Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2014]
_cell_length_b [4.0832]
_cell_length_c [5.8943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SnBiAu2]
_chemical_formula_sum '[Sn1 Bi1 Au2]'
_cell_volume [96.3013]
_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  0.7543  0.0000  0.9956  1.0
  Bi  Bi1  1  0.4112  0.5000  0.4125  1.0
  Au  Au2  1  0.2185  0.5000  0.8928  1.0
  Au  Au3  1  0.9470  0.0000  0.5171  1.0
]