data_[Ba4Cu2Ag2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.9814]
_cell_length_b [5.6224]
_cell_length_c [9.2523]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.8714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2CuAgAu6]
_chemical_formula_sum '[Ba4 Cu2 Ag2 Au12]'
_cell_volume [510.6464]
_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  0.2423  0.0000  0.6971  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.5000  1.0
  Au  Au3  8  0.0124  0.2488  0.7724  1.0
  Au  Au4  4  0.2469  0.0000  0.1045  1.0
]