data_[La2Y12Er6Th4]
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
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2093]
_cell_length_b [10.7454]
_cell_length_c [11.7708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1394]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaY6Er3Th2]
_chemical_formula_sum '[La2 Y12 Er6 Th4]'
_cell_volume [773.0978]
_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  2  0.0000  0.0000  0.0000  1
  Y  Y1  8  0.2468  0.3309  0.7500  1
  Y  Y2  4  0.2458  0.5000  0.2502  1
  Er  Er3  4  0.0000  0.1666  0.5000  1
  Er  Er4  2  0.0000  0.5000  0.5000  1
  Th  Th5  4  0.0000  0.3333  0.0000  1
]