data_[Pr6Y26]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.1538]
_cell_length_b [10.2117]
_cell_length_c [10.2392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pr3Y13]
_chemical_formula_sum '[Pr6 Y26]'
_cell_volume [1061.6711]
_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  0.2500  0.0000  0.9993  1.0
  Pr  Pr1  2  0.0000  0.0000  0.2516  1.0
  Y  Y2  8  0.2508  0.2495  0.7500  1.0
  Y  Y3  4  0.0000  0.2484  0.5001  1.0
  Y  Y4  4  0.2513  0.0000  0.5008  1.0
  Y  Y5  4  0.5000  0.2489  0.4998  1.0
  Y  Y6  2  0.0000  0.0000  0.7486  1.0
  Y  Y7  2  0.5000  0.0000  0.2513  1.0
  Y  Y8  2  0.5000  0.0000  0.7483  1.0
]