data_[Pr8Y2Er6]
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 [Pmn2_1]
_cell_length_a [11.7043]
_cell_length_b [7.3355]
_cell_length_c [6.3518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr4YEr3]
_chemical_formula_sum '[Pr8 Y2 Er6]'
_cell_volume [545.3481]
_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  0.2467  0.8706  0.4825  1.0
  Pr  Pr1  2  0.0000  0.1303  0.6496  1.0
  Pr  Pr2  2  0.0000  0.8714  0.1404  1.0
  Y  Y3  2  0.0000  0.3796  0.1510  1.0
  Er  Er4  4  0.2498  0.6191  0.9806  1.0
  Er  Er5  2  0.0000  0.6167  0.6481  1.0
]