data_[Pr2Y6]
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 [Pc]
_cell_length_a [17.8321]
_cell_length_b [7.1518]
_cell_length_c [6.2161]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [PrY3]
_chemical_formula_sum '[Pr2 Y6]'
_cell_volume [792.7469]
_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  2  0.4190  0.1282  0.3633  1
  Y  Y1  2  0.4286  0.3764  0.8577  1
  Y  Y2  2  0.5746  0.1230  0.0304  1
  Y  Y3  2  0.5778  0.3743  0.5243  1
]