data_[Ba4In4Ga4Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.1867]
_cell_length_b [13.1866]
_cell_length_c [7.0616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaInGaAu3]
_chemical_formula_sum '[Ba4 In4 Ga4 Au12]'
_cell_volume [669.2101]
_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  0.0000  0.2205  0.7500  1.0
  In  In1  4  0.0000  0.4874  0.2500  1.0
  Ga  Ga2  4  0.0000  0.0920  0.2500  1.0
  Au  Au3  8  0.2039  0.0000  0.0000  1.0
  Au  Au4  4  0.0000  0.2812  0.2500  1.0
]