data_[Pr16Nd4Mg2]
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/m]
_cell_length_a [12.1550]
_cell_length_b [11.5047]
_cell_length_c [6.0942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8Nd2Mg]
_chemical_formula_sum '[Pr16 Nd4 Mg2]'
_cell_volume [831.5062]
_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  8  0.1082  0.2422  0.7829  1
  Pr  Pr1  4  0.0780  0.5000  0.2902  1
  Pr  Pr2  4  0.2323  0.5000  0.9127  1
  Nd  Nd3  4  0.1383  0.0000  0.4893  1
  Mg  Mg4  2  0.0000  0.0000  0.0000  1
]