data_[Ce16In2Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.3313]
_cell_length_b [6.5106]
_cell_length_c [7.7736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3968]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce8InAu2]
_chemical_formula_sum '[Ce16 In2 Au4]'
_cell_volume [575.9184]
_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  8  0.1008  0.2489  0.4184  1
  Ce  Ce1  4  0.1172  0.5000  0.1398  1
  Ce  Ce2  4  0.2023  0.5000  0.7534  1
  In  In3  2  0.0000  0.0000  0.0000  1
  Au  Au4  4  0.1353  0.0000  0.7926  1
]