data_[Pr16Mg4Al2]
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
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2398]
_cell_length_b [5.4268]
_cell_length_c [7.8116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Mg2Al]
_chemical_formula_sum '[Pr16 Mg4 Al2]'
_cell_volume [716.4915]
_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  0.0185  0.0000  0.7785  1
  Pr  Pr1  4  0.0933  0.5000  0.4424  1
  Pr  Pr2  4  0.1633  0.5000  0.9435  1
  Pr  Pr3  4  0.1914  0.0000  0.2718  1
  Mg  Mg4  4  0.1811  0.0000  0.6795  1
  Al  Al5  2  0.0000  0.5000  0.0000  1
]