data_[Ba1Cu2As6Au2]
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
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7272]
_cell_length_b [6.5375]
_cell_length_c [8.0999]
_cell_angle_alpha [106.3515]
_cell_angle_beta [98.2972]
_cell_angle_gamma [107.5094]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaCu2(As3Au)2]
_chemical_formula_sum '[Ba1 Cu2 As6 Au2]'
_cell_volume [268.6910]
_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  0.5000  0.0000  0.5000  1
  Cu  Cu1  2  0.0465  0.1373  0.1647  1
  As  As2  2  0.1647  0.4120  0.4603  1
  As  As3  2  0.2272  0.5057  0.9763  1
  As  As4  2  0.3166  0.9244  0.0593  1
  Au  Au5  2  0.4991  0.4966  0.7420  1
]