data_[Ba4Sn2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7055]
_cell_length_b [5.0377]
_cell_length_c [9.6201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba2SnAu]
_chemical_formula_sum '[Ba4 Sn2 Au2]'
_cell_volume [305.4952]
_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
[
  Ba  Ba0  2  0.1998  0.2500  0.4239  1.0
  Ba  Ba1  2  0.2811  0.7500  0.0637  1.0
  Sn  Sn2  2  0.3627  0.7500  0.7175  1.0
  Au  Au3  2  0.1705  0.2500  0.7820  1.0
]