data_[La36Ho18Th3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [16.0075]
_cell_length_b [16.0075]
_cell_length_c [8.9539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [La12Ho6Th]
_chemical_formula_sum '[La36 Ho18 Th3]'
_cell_volume [1986.9610]
_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  0.0360  0.7568  0.3385  1
  La  La1  18  0.0748  0.5105  0.6660  1
  Ho  Ho2  18  0.0166  0.8816  0.6684  1
  Th  Th3  3  0.0000  0.0000  0.0000  1
]