data_[Pr12Sc4Cd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sc  1.3600  1.6000  0.8850
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.9701]
_cell_length_b [6.3043]
_cell_length_c [12.1663]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0718]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr3ScCd]
_chemical_formula_sum '[Pr12 Sc4 Cd4]'
_cell_volume [625.8606]
_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  0.1206  0.0344  0.7706  1.0
  Pr  Pr1  4  0.2573  0.1354  0.5629  1.0
  Pr  Pr2  4  0.3228  0.5561  0.8195  1.0
  Sc  Sc3  4  0.4590  0.6040  0.5991  1.0
  Cd  Cd4  4  0.0952  0.6717  0.5031  1.0
]