data_[La2Ce10Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8862]
_cell_length_b [13.6569]
_cell_length_c [7.8882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4889]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaCe5Sb6]
_chemical_formula_sum '[La2 Ce10 Sb12]'
_cell_volume [800.8841]
_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  2  0.0000  0.0000  0.0000  1.0
  Ce  Ce1  4  0.0000  0.1653  0.5000  1.0
  Ce  Ce2  4  0.0000  0.3328  0.0000  1.0
  Ce  Ce3  2  0.0000  0.5000  0.5000  1.0
  Sb  Sb4  8  0.2467  0.3313  0.7470  1.0
  Sb  Sb5  4  0.2461  0.5000  0.2517  1.0
]