data_[Pr1Nd3Mg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.1614]
_cell_length_b [6.1614]
_cell_length_c [9.9873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PrNd3Mg8]
_chemical_formula_sum '[Pr1 Nd3 Mg8]'
_cell_volume [328.3480]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.4370  1.0
  Nd  Nd1  1  0.0000  0.0000  0.0650  1.0
  Nd  Nd2  1  0.6667  0.3333  0.5637  1.0
  Nd  Nd3  1  0.6667  0.3333  0.9342  1.0
  Mg  Mg4  3  0.1634  0.8366  0.7505  1.0
  Mg  Mg5  3  0.5034  0.0069  0.2495  1.0
  Mg  Mg6  1  0.3333  0.6667  0.0001  1.0
  Mg  Mg7  1  0.3333  0.6667  0.4999  1.0
]