data_[Pr16Nd4Mg4]
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 [C2/c]
_cell_length_a [10.9380]
_cell_length_b [6.3420]
_cell_length_c [12.2906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4NdMg]
_chemical_formula_sum '[Pr16 Nd4 Mg4]'
_cell_volume [814.1215]
_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  0.0806  0.2418  0.4993  1.0
  Pr  Pr1  8  0.1679  0.4194  0.2506  1.0
  Nd  Nd2  4  0.2500  0.2500  0.0000  1.0
  Mg  Mg3  4  0.0000  0.0821  0.7500  1.0
]