data_[La36Y18Th3]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [16.0683]
_cell_length_b [16.0683]
_cell_length_c [9.0029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La12Y6Th]
_chemical_formula_sum '[La36 Y18 Th3]'
_cell_volume [2013.0499]
_cell_formula_units_Z [3]
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  18  0.0358  0.7549  0.3363  1
  La  La1  18  0.0745  0.5104  0.6662  1
  Y  Y2  18  0.0167  0.8808  0.6688  1
  Th  Th3  3  0.0000  0.0000  0.0000  1
]