data_[Pr4Y4Er16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6708]
_cell_length_b [6.1876]
_cell_length_c [12.0525]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PrYEr4]
_chemical_formula_sum '[Pr4 Y4 Er16]'
_cell_volume [760.7143]
_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
[
  Pr  Pr0  4  0.0000  0.0803  0.2500  1.0
  Y  Y1  4  0.2500  0.2500  0.5000  1.0
  Er  Er2  8  0.0841  0.2520  0.0002  1.0
  Er  Er3  8  0.1663  0.4170  0.7499  1.0
]