data_[Nd24Ga4Fe52]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.0083]
_cell_length_b [8.0083]
_cell_length_c [23.1015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nd6GaFe13]
_chemical_formula_sum '[Nd24 Ga4 Fe52]'
_cell_volume [1481.5567]
_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
[
  Nd  Nd0  16  0.1653  0.3347  0.3124  1
  Nd  Nd1  8  0.0000  0.0000  0.1075  1
  Ga  Ga2  4  0.0000  0.0000  0.2500  1
  Fe  Fe3  16  0.0664  0.7905  0.5000  1
  Fe  Fe4  16  0.1128  0.3872  0.0949  1
  Fe  Fe5  16  0.1790  0.3210  0.5594  1
  Fe  Fe6  4  0.0000  0.5000  0.0000  1
]