data_[Ce2Y16Er10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [9.5480]
_cell_length_b [9.5480]
_cell_length_c [9.9591]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [CeY8Er5]
_chemical_formula_sum '[Ce2 Y16 Er10]'
_cell_volume [907.9077]
_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
[
  Ce  Ce0  2  0.0000  0.5000  0.2500  1
  Y  Y1  8  0.0734  0.8225  0.1534  1
  Y  Y2  8  0.0811  0.6723  0.4909  1
  Er  Er3  8  0.1083  0.7138  0.8208  1
  Er  Er4  2  0.0000  0.0000  0.5000  1
]