data_[Pr12Y2Er4]
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 [12.3472]
_cell_length_b [5.7862]
_cell_length_c [10.5775]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8900]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6YEr2]
_chemical_formula_sum '[Pr12 Y2 Er4]'
_cell_volume [619.8582]
_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  0.0538  0.5000  0.8856  1.0
  Pr  Pr1  4  0.1685  0.0000  0.1627  1.0
  Pr  Pr2  4  0.2219  0.0000  0.5488  1.0
  Y  Y3  2  0.0000  0.5000  0.5000  1.0
  Er  Er4  4  0.1126  0.0000  0.7698  1.0
]