data_[Pr1Y8Er6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.4318]
_cell_length_b [9.4318]
_cell_length_c [6.5425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Pr(Y4Er3)2]
_chemical_formula_sum '[Pr1 Y8 Er6]'
_cell_volume [504.0325]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  Y  Y1  6  0.0275  0.6879  0.9025  1
  Y  Y2  2  0.3333  0.6667  0.1764  1
  Er  Er3  6  0.0926  0.4140  0.5916  1
]