data_[Pr6Nd16Er8]
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/m]
_cell_length_a [13.8732]
_cell_length_b [12.3500]
_cell_length_c [6.9157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(Nd2Er)4]
_chemical_formula_sum '[Pr6 Nd16 Er8]'
_cell_volume [1046.6403]
_cell_formula_units_Z [2]
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  0.2500  0.2500  0.0000  1
  Pr  Pr1  2  0.0000  0.5000  0.5000  1
  Nd  Nd2  4  0.0000  0.2459  0.5000  1
  Nd  Nd3  4  0.0000  0.2932  0.0000  1
  Nd  Nd4  4  0.2033  0.5000  0.1704  1
  Nd  Nd5  4  0.2427  0.0000  0.3017  1
  Er  Er6  4  0.2500  0.2500  0.5000  1
  Er  Er7  2  0.0000  0.0000  0.0000  1
  Er  Er8  2  0.0000  0.0000  0.5000  1
]