data_[Pr24Mg4Cd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [10.2751]
_cell_length_b [10.6700]
_cell_length_c [10.7623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Pr6MgCd2]
_chemical_formula_sum '[Pr24 Mg4 Cd8]'
_cell_volume [1179.9341]
_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  8  0.0000  0.3218  0.2679  1
  Pr  Pr1  8  0.1820  0.0000  0.2668  1
  Pr  Pr2  8  0.2000  0.2536  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Mg  Mg4  2  0.0000  0.5000  0.0000  1
  Cd  Cd5  4  0.0000  0.1333  0.5000  1
  Cd  Cd6  4  0.1408  0.5000  0.5000  1
]