data_[Pr4Y6Er6]
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 [C2/m]
_cell_length_a [23.8906]
_cell_length_b [3.6085]
_cell_length_c [6.2334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2(YEr)3]
_chemical_formula_sum '[Pr4 Y6 Er6]'
_cell_volume [518.7826]
_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  0.2493  0.0000  0.2511  1
  Y  Y1  4  0.1234  0.0000  0.7858  1
  Y  Y2  2  0.0000  0.0000  0.0000  1
  Er  Er3  4  0.1233  0.5000  0.2879  1
  Er  Er4  2  0.0000  0.5000  0.5000  1
]