data_[Pm24Nd12Mg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [7.6471]
_cell_length_b [18.8620]
_cell_length_c [9.4762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pm6Nd3Mg]
_chemical_formula_sum '[Pm24 Nd12 Mg4]'
_cell_volume [1366.8454]
_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
[
  Pm  Pm0  8  0.2401  0.0652  0.4164  1
  Pm  Pm1  8  0.2485  0.1956  0.6820  1
  Pm  Pm2  4  0.0000  0.0435  0.7225  1
  Pm  Pm3  4  0.0000  0.2909  0.8865  1
  Nd  Nd4  8  0.2487  0.3746  0.5485  1
  Nd  Nd5  4  0.0000  0.4582  0.2151  1
  Mg  Mg6  4  0.0000  0.2147  0.3969  1
]