data_[Pr12Nd24Er4]
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 [Cmc2_1]
_cell_length_a [11.0842]
_cell_length_b [19.4763]
_cell_length_c [6.5433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr3Nd6Er]
_chemical_formula_sum '[Pr12 Nd24 Er4]'
_cell_volume [1412.5618]
_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  0.1744  0.1165  0.0363  1
  Pr  Pr1  4  0.0000  0.3848  0.4215  1
  Nd  Nd2  8  0.1705  0.4576  0.9427  1
  Nd  Nd3  8  0.2332  0.2912  0.1319  1
  Nd  Nd4  4  0.0000  0.0347  0.6358  1
  Nd  Nd5  4  0.0000  0.2763  0.8496  1
  Er  Er6  4  0.0000  0.1913  0.3861  1
]