data_[Pr12Nd8Er20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.6405]
_cell_length_b [16.4537]
_cell_length_c [9.3367]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.7070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr3Nd2Er5]
_chemical_formula_sum '[Pr12 Nd8 Er20]'
_cell_volume [1343.7818]
_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  0.1482  0.1237  0.0472  1
  Pr  Pr1  4  0.0000  0.2323  0.2500  1
  Nd  Nd2  8  0.1475  0.3806  0.5447  1
  Er  Er3  8  0.2479  0.3864  0.2419  1
  Er  Er4  4  0.0000  0.0259  0.2500  1
  Er  Er5  4  0.0000  0.2728  0.7500  1
  Er  Er6  4  0.0000  0.4719  0.7500  1
]