data_[Ba1Bi1Au10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.6452]
_cell_length_b [5.7593]
_cell_length_c [9.9377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [BaBiAu10]
_chemical_formula_sum '[Ba1 Bi1 Au10]'
_cell_volume [265.8672]
_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
[
  Ba  Ba0  1  0.0000  0.5000  0.5000  1
  Bi  Bi1  1  0.0000  0.0000  0.0000  1
  Au  Au2  4  0.5000  0.2514  0.2494  1
  Au  Au3  2  0.0000  0.0000  0.3206  1
  Au  Au4  2  0.0000  0.5000  0.1562  1
  Au  Au5  1  0.5000  0.0000  0.5000  1
  Au  Au6  1  0.5000  0.5000  0.0000  1
]