data_[Y20Er8Th8]
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 [Ima2]
_cell_length_a [14.8624]
_cell_length_b [11.8912]
_cell_length_c [6.6467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Y5(ErTh)2]
_chemical_formula_sum '[Y20 Er8 Th8]'
_cell_volume [1174.6902]
_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
[
  Y  Y0  8  0.0533  0.7438  0.7125  1
  Y  Y1  8  0.1431  0.2244  0.9053  1
  Y  Y2  4  0.2500  0.7270  0.9044  1
  Er  Er3  8  0.1250  0.0034  0.5502  1
  Th  Th4  4  0.0000  0.0000  0.0178  1
  Th  Th5  4  0.2500  0.5028  0.5779  1
]