data_[Ce10Sn4Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sn  1.9600  1.4500  0.8300
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.1564]
_cell_length_b [6.8708]
_cell_length_c [6.9834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.1129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ce5Sn2Au]
_chemical_formula_sum '[Ce10 Sn4 Au2]'
_cell_volume [421.1754]
_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  0.4607  0.2569  0.1949  1.0
  Ce  Ce1  4  0.4961  0.7379  0.7485  1.0
  Ce  Ce2  2  0.1562  0.5000  0.6817  1.0
  Sn  Sn3  2  0.2271  0.5000  0.2435  1.0
  Sn  Sn4  2  0.2277  0.0000  0.6887  1.0
  Au  Au5  2  0.2524  0.0000  0.2762  1.0
]