data_[Ce2Pr6Er16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [8.7165]
_cell_length_b [8.7165]
_cell_length_c [11.2729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [CePr3Er8]
_chemical_formula_sum '[Ce2 Pr6 Er16]'
_cell_volume [856.4927]
_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  0.0000  0.0000  1
  Pr  Pr1  4  0.0000  0.5000  0.2500  1
  Pr  Pr2  2  0.0000  0.0000  0.5000  1
  Er  Er3  8  0.1245  0.1245  0.2345  1
  Er  Er4  8  0.2310  0.2310  0.9679  1
]