data_[Ba4Bi2Sb2Au12]
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
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7986]
_cell_length_b [9.3421]
_cell_length_c [10.2792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ba2BiSbAu6]
_chemical_formula_sum '[Ba4 Bi2 Sb2 Au12]'
_cell_volume [556.8329]
_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  4  0.0000  0.2516  0.7332  1.0
  Bi  Bi1  2  0.0000  0.5000  0.2724  1.0
  Sb  Sb2  2  0.0000  0.0000  0.2547  1.0
  Au  Au3  4  0.0000  0.2485  0.0832  1.0
  Au  Au4  4  0.2479  0.5000  0.0015  1.0
  Au  Au5  4  0.2489  0.0000  0.4865  1.0
]