data_[La4Y12Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [9.3426]
_cell_length_b [9.3426]
_cell_length_c [9.3426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [La(YSb)3]
_chemical_formula_sum '[La4 Y12 Sb12]'
_cell_volume [815.4514]
_cell_formula_units_Z [4]
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  0.0692  0.5692  0.9308  1
  Y  Y1  4  0.0772  0.4228  0.5772  1
  Y  Y2  4  0.1797  0.1797  0.1797  1
  Y  Y3  4  0.1808  0.8192  0.3192  1
  Sb  Sb4  12  0.0013  0.7411  0.6189  1
]