data_[La8Y24Th4]
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 [C2/c]
_cell_length_a [16.7536]
_cell_length_b [11.8656]
_cell_length_c [6.1013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.2606]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2Y6Th]
_chemical_formula_sum '[La8 Y24 Th4]'
_cell_volume [1200.2941]
_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  8  0.1688  0.3857  0.0735  1
  Y  Y1  8  0.0541  0.3699  0.5231  1
  Y  Y2  8  0.1088  0.1179  0.8002  1
  Y  Y3  8  0.2136  0.1336  0.3598  1
  Th  Th4  4  0.0000  0.1231  0.2500  1
]