data_[Pr26Y6]
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 [10.5063]
_cell_length_b [10.3684]
_cell_length_c [10.3913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pr13Y3]
_chemical_formula_sum '[Pr26 Y6]'
_cell_volume [1131.9533]
_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  8  0.2482  0.2488  0.7500  1.0
  Pr  Pr1  4  0.0000  0.2479  0.9999  1.0
  Pr  Pr2  4  0.2490  0.0000  0.5015  1.0
  Pr  Pr3  4  0.5000  0.2476  0.0000  1.0
  Pr  Pr4  2  0.0000  0.0000  0.2475  1.0
  Pr  Pr5  2  0.5000  0.0000  0.2477  1.0
  Pr  Pr6  2  0.5000  0.0000  0.7526  1.0
  Y  Y7  4  0.2481  0.0000  0.9985  1.0
  Y  Y8  2  0.0000  0.0000  0.7524  1.0
]