data_[La10Ce2Au12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ce  1.1200  1.8500  1.0800
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.3618]
_cell_length_b [7.4843]
_cell_length_c [16.0484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La5CeAu6]
_chemical_formula_sum '[La10 Ce2 Au12]'
_cell_volume [644.0153]
_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
[
  La  La0  4  0.0000  0.0000  0.3347  1
  La  La1  4  0.0000  0.5000  0.3315  1
  La  La2  2  0.0000  0.5000  0.0000  1
  Ce  Ce3  2  0.0000  0.0000  0.0000  1
  Au  Au4  8  0.0000  0.2449  0.1640  1
  Au  Au5  4  0.0000  0.2615  0.5000  1
]