data_[La10Y12Th2]
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/m]
_cell_length_a [6.3434]
_cell_length_b [10.9827]
_cell_length_c [11.8915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2475]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La5Y6Th]
_chemical_formula_sum '[La10 Y12 Th2]'
_cell_volume [815.2362]
_cell_formula_units_Z [2]
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  0.0000  0.1670  0.5000  1
  La  La1  4  0.0000  0.3333  0.0000  1
  La  La2  2  0.0000  0.5000  0.5000  1
  Y  Y3  8  0.2462  0.1643  0.2468  1
  Y  Y4  4  0.2466  0.0000  0.7533  1
  Th  Th5  2  0.0000  0.0000  0.0000  1
]