data_[Pr4Y4Cd12]
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 [Cmcm]
_cell_length_a [3.5413]
_cell_length_b [29.7908]
_cell_length_c [5.0430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [PrYCd3]
_chemical_formula_sum '[Pr4 Y4 Cd12]'
_cell_volume [532.0363]
_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  4  0.0000  0.0752  0.7500  1
  Y  Y1  4  0.0000  0.2140  0.2500  1
  Cd  Cd2  4  0.0000  0.3220  0.2500  1
  Cd  Cd3  4  0.0000  0.3769  0.7500  1
  Cd  Cd4  4  0.0000  0.4758  0.7500  1
]