data_[Pr6Y2Cd12]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5095]
_cell_length_b [5.2326]
_cell_length_c [11.2333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4819]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pr3YCd6]
_chemical_formula_sum '[Pr6 Y2 Cd12]'
_cell_volume [541.2014]
_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  0.2366  0.2500  0.9953  1
  Pr  Pr1  2  0.3476  0.7500  0.7806  1
  Pr  Pr2  2  0.4753  0.2500  0.6079  1
  Y  Y3  2  0.0542  0.2500  0.3950  1
  Cd  Cd4  2  0.0472  0.7500  0.8917  1
  Cd  Cd5  2  0.1332  0.2500  0.6900  1
  Cd  Cd6  2  0.1464  0.7500  0.1873  1
  Cd  Cd7  2  0.2278  0.7500  0.4834  1
  Cd  Cd8  2  0.3290  0.2500  0.2918  1
  Cd  Cd9  2  0.4486  0.7500  0.0888  1
]