data_[Ba4Sn4Au4]
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/c]
_cell_length_a [7.0402]
_cell_length_b [8.2973]
_cell_length_c [7.2861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0882]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BaSnAu]
_chemical_formula_sum '[Ba4 Sn4 Au4]'
_cell_volume [406.8249]
_cell_formula_units_Z [4]
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  4  0.2032  0.0782  0.8096  1.0
  Sn  Sn1  4  0.3129  0.5034  0.8283  1.0
  Au  Au2  4  0.3391  0.7396  0.1006  1.0
]