data_[Pr12Y8Er4]
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 [Cmcm]
_cell_length_a [10.9998]
_cell_length_b [6.3459]
_cell_length_c [11.7110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pr3Y2Er]
_chemical_formula_sum '[Pr12 Y8 Er4]'
_cell_volume [817.4674]
_cell_formula_units_Z [4]
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  8  0.1654  0.0000  0.0000  1.0
  Pr  Pr1  4  0.0000  0.5000  0.0000  1.0
  Y  Y2  8  0.1666  0.3340  0.2500  1.0
  Er  Er3  4  0.0000  0.1659  0.7500  1.0
]