data_[Pr12Ho8Er20]
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 [C2/c]
_cell_length_a [10.6539]
_cell_length_b [16.0841]
_cell_length_c [9.3731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.5066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3Ho2Er5]
_chemical_formula_sum '[Pr12 Ho8 Er20]'
_cell_volume [1323.5696]
_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  0.1446  0.1239  0.5447  1
  Pr  Pr1  4  0.0000  0.2355  0.7500  1
  Ho  Ho2  8  0.1507  0.3842  0.0473  1
  Er  Er3  8  0.2403  0.3902  0.7324  1
  Er  Er4  4  0.0000  0.0274  0.7500  1
  Er  Er5  4  0.0000  0.2725  0.2500  1
  Er  Er6  4  0.0000  0.4703  0.2500  1
]