data_[Ce12Co2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Co  1.8800  1.3500  0.7683
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1994]
_cell_length_b [8.3712]
_cell_length_c [10.0415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.9356]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce6CoAu2]
_chemical_formula_sum '[Ce12 Co2 Au4]'
_cell_volume [446.9877]
_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
[
  Ce  Ce0  4  0.1322  0.5417  0.7398  1.0
  Ce  Ce1  4  0.1627  0.2304  0.5263  1.0
  Ce  Ce2  4  0.4694  0.6622  0.5277  1.0
  Co  Co3  2  0.5000  0.0000  0.5000  1.0
  Au  Au4  4  0.3377  0.5876  0.1988  1.0
]