data_[La48Y8Th4]
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 [Cmme]
_cell_length_a [7.2569]
_cell_length_b [11.8637]
_cell_length_c [25.2213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [La12Y2Th]
_chemical_formula_sum '[La48 Y8 Th4]'
_cell_volume [2171.4140]
_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  0.0000  0.0052  0.9284  1
  La  La1  8  0.0000  0.0313  0.4421  1
  La  La2  8  0.2278  0.2500  0.5841  1
  La  La3  8  0.2460  0.2500  0.1254  1
  La  La4  8  0.2500  0.0000  0.2017  1
  La  La5  8  0.2500  0.0000  0.3239  1
  Y  Y6  4  0.0000  0.2500  0.2724  1
  Y  Y7  4  0.0000  0.2500  0.7322  1
  Th  Th8  4  0.0000  0.2500  0.0017  1
]