data_[La4Y8Th10]
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 [23.7018]
_cell_length_b [3.6024]
_cell_length_c [8.8132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6436]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Y4Th5]
_chemical_formula_sum '[La4 Y8 Th10]'
_cell_volume [728.0567]
_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  0.0938  0.5000  0.7358  1
  Y  Y1  4  0.0459  0.0000  0.3507  1
  Y  Y2  4  0.1823  0.5000  0.4518  1
  Th  Th3  4  0.1369  0.0000  0.0898  1
  Th  Th4  4  0.2298  0.0000  0.8250  1
  Th  Th5  2  0.0000  0.5000  0.0000  1
]