data_[Ba4Mg2Sb2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8018]
_cell_length_b [5.6548]
_cell_length_c [9.6909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.4990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2MgSbAu6]
_chemical_formula_sum '[Ba4 Mg2 Sb2 Au12]'
_cell_volume [539.4703]
_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  0.2390  0.5000  0.1957  1
  Mg  Mg1  2  0.0000  0.5000  0.5000  1
  Sb  Sb2  2  0.0000  0.0000  0.0000  1
  Au  Au3  8  0.0065  0.2481  0.2699  1
  Au  Au4  4  0.2450  0.5000  0.5954  1
]