data_[Ba4Ce8As16Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2744]
_cell_length_b [14.5882]
_cell_length_c [14.2491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaCe2As4Au]
_chemical_formula_sum '[Ba4 Ce8 As16 Au4]'
_cell_volume [888.5090]
_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  0.1170  0.7500  1
  Ce  Ce1  8  0.0000  0.3701  0.5587  1
  As  As2  8  0.0000  0.2611  0.1080  1
  As  As3  4  0.0000  0.0000  0.0000  1
  As  As4  4  0.0000  0.4451  0.7500  1
  Au  Au5  4  0.0000  0.1520  0.2500  1
]