data_[Pr4Nd12Mg2]
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 [P4_2/mnm]
_cell_length_a [10.9360]
_cell_length_b [10.9360]
_cell_length_c [5.1466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Pr2Nd6Mg]
_chemical_formula_sum '[Pr4 Nd12 Mg2]'
_cell_volume [615.5164]
_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  0.1655  0.8345  0.5000  1.0
  Nd  Nd1  8  0.0001  0.3325  0.0000  1.0
  Nd  Nd2  4  0.1665  0.1665  0.5000  1.0
  Mg  Mg3  2  0.0000  0.0000  0.0000  1.0
]