data_[Pr8Y6Er2]
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 [11.7795]
_cell_length_b [7.3775]
_cell_length_c [6.4017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr4Y3Er]
_chemical_formula_sum '[Pr8 Y6 Er2]'
_cell_volume [556.3281]
_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  0.2475  0.8719  0.0180  1.0
  Pr  Pr1  2  0.0000  0.1285  0.8488  1.0
  Pr  Pr2  2  0.0000  0.8725  0.3552  1.0
  Y  Y3  4  0.2500  0.6202  0.5200  1.0
  Y  Y4  2  0.0000  0.3787  0.3514  1.0
  Er  Er5  2  0.0000  0.6195  0.8533  1.0
]