data_[Y10Er24Th4]
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 [C2/m]
_cell_length_a [15.6157]
_cell_length_b [9.2889]
_cell_length_c [8.4671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.7177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y5(Er6Th)2]
_chemical_formula_sum '[Y10 Er24 Th4]'
_cell_volume [1227.6178]
_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  0.1976  0.5000  0.0138  1
  Y  Y1  4  0.2337  0.0000  0.5744  1
  Y  Y2  2  0.0000  0.0000  0.5000  1
  Er  Er3  8  0.1278  0.3074  0.6598  1
  Er  Er4  8  0.1524  0.1797  0.2440  1
  Er  Er5  4  0.0556  0.5000  0.3272  1
  Er  Er6  4  0.0856  0.0000  0.8833  1
  Th  Th7  4  0.0000  0.3211  0.0000  1
]