data_[Pr16Mg2Cd4]
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 [C2/m]
_cell_length_a [16.8525]
_cell_length_b [5.6254]
_cell_length_c [8.9162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8MgCd2]
_chemical_formula_sum '[Pr16 Mg2 Cd4]'
_cell_volume [721.8724]
_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  4  0.0693  0.0000  0.7245  1.0
  Pr  Pr1  4  0.0926  0.5000  0.4530  1.0
  Pr  Pr2  4  0.1379  0.0000  0.1913  1.0
  Pr  Pr3  4  0.1819  0.5000  0.9485  1.0
  Mg  Mg4  2  0.0000  0.5000  0.0000  1.0
  Cd  Cd5  4  0.2315  0.0000  0.6241  1.0
]