data_[Pr20Ho12Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [9.4012]
_cell_length_b [9.4012]
_cell_length_c [14.2488]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Pr5Ho3Er]
_chemical_formula_sum '[Pr20 Ho12 Er4]'
_cell_volume [1259.3616]
_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  16  0.2013  0.2987  0.6328  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Ho  Ho2  8  0.1090  0.3910  0.0000  1
  Ho  Ho3  4  0.0000  0.0000  0.2500  1
  Er  Er4  4  0.0000  0.5000  0.2500  1
]