data_[Pr16Ho8Er12]
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 [Cccm]
_cell_length_a [9.8222]
_cell_length_b [17.1301]
_cell_length_c [7.0641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Pr4Ho2Er3]
_chemical_formula_sum '[Pr16 Ho8 Er12]'
_cell_volume [1188.5672]
_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  8  0.1650  0.0153  0.0000  1.0
  Pr  Pr1  8  0.1872  0.3393  0.5000  1.0
  Ho  Ho2  8  0.1472  0.3258  0.0000  1.0
  Er  Er3  8  0.0000  0.1715  0.2500  1.0
  Er  Er4  4  0.0000  0.5000  0.2500  1.0
]