data_[Pr6Y8Er2]
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 [11.7132]
_cell_length_b [6.2805]
_cell_length_c [7.2613]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pr3Y4Er]
_chemical_formula_sum '[Pr6 Y8 Er2]'
_cell_volume [534.1809]
_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  0.2484  0.4980  0.8106  1.0
  Pr  Pr1  2  0.0000  0.1659  0.3101  1.0
  Y  Y2  4  0.2495  0.9988  0.0607  1.0
  Y  Y3  2  0.0000  0.1659  0.8112  1.0
  Y  Y4  2  0.0000  0.6668  0.5617  1.0
  Er  Er5  2  0.0000  0.6661  0.0592  1.0
]