data_[Pr36Nd21Mg3]
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 [R-3]
_cell_length_a [12.4752]
_cell_length_b [12.4752]
_cell_length_c [15.9684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pr12Nd7Mg]
_chemical_formula_sum '[Pr36 Nd21 Mg3]'
_cell_volume [2152.1994]
_cell_formula_units_Z [3]
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  18  0.0299  0.5806  0.7147  1
  Pr  Pr1  18  0.0561  0.4680  0.0835  1
  Nd  Nd2  18  0.0558  0.8700  0.7973  1
  Nd  Nd3  3  -0.0000  0.0000  0.5000  1
  Mg  Mg4  3  0.0000  0.0000  0.0000  1
]