data_[Pr4Ho24Er12]
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 [Cmc2_1]
_cell_length_a [10.9448]
_cell_length_b [18.8677]
_cell_length_c [6.1714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr(Ho2Er)3]
_chemical_formula_sum '[Pr4 Ho24 Er12]'
_cell_volume [1274.4064]
_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  0.2082  0.8379  1
  Ho  Ho1  8  0.1656  0.4536  0.4728  1
  Ho  Ho2  8  0.2452  0.2104  0.1369  1
  Ho  Ho3  4  0.0000  0.0474  0.0864  1
  Ho  Ho4  4  0.0000  0.2889  0.3593  1
  Er  Er5  8  0.1753  0.1081  0.5438  1
  Er  Er6  4  0.0000  0.3903  0.9241  1
]