data_[Pr6Mg4Al8]
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 [11.2080]
_cell_length_b [4.7888]
_cell_length_c [9.1428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(MgAl2)2]
_chemical_formula_sum '[Pr6 Mg4 Al8]'
_cell_volume [449.7461]
_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  0.1651  0.5000  0.6695  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.1171  0.5000  0.2838  1
  Al  Al3  4  0.0568  0.0000  0.3964  1
  Al  Al4  4  0.2239  0.5000  0.0520  1
]