data_[La18Y24Th3]
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 [9.1581]
_cell_length_b [9.1581]
_cell_length_c [21.3996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La6Y8Th]
_chemical_formula_sum '[La18 Y24 Th3]'
_cell_volume [1554.3608]
_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  0.0497  0.2484  0.7125  1
  Y  Y1  18  0.0812  0.5787  0.8035  1
  Y  Y2  6  0.0000  0.0000  0.4227  1
  Th  Th3  3  0.0000  0.0000  0.0000  1
]