data_[Y4Er24Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Immm]
_cell_length_a [3.4866]
_cell_length_b [5.4860]
_cell_length_c [48.6537]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Y2Er12Th]
_chemical_formula_sum '[Y4 Er24 Th2]'
_cell_volume [930.6077]
_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
[
  Y  Y0  4  0.0000  0.0000  0.3631  1
  Er  Er1  4  0.0000  0.0000  0.0962  1
  Er  Er2  4  0.0000  0.0000  0.1661  1
  Er  Er3  4  0.0000  0.0000  0.4335  1
  Er  Er4  4  0.0000  0.5000  0.2011  1
  Er  Er5  4  0.0000  0.5000  0.2706  1
  Er  Er6  4  0.0000  0.5000  0.4671  1
  Th  Th7  2  0.0000  0.5000  0.0000  1
]