data_[Nd40Ho24Mg96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Mg  1.3100  1.5000  0.8600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [18.1529]
_cell_length_b [18.1529]
_cell_length_c [18.1529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Nd5(HoMg4)3]
_chemical_formula_sum '[Nd40 Ho24 Mg96]'
_cell_volume [5981.8903]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.3750  1
  Nd  Nd1  16  0.0000  0.0000  0.0000  1
  Ho  Ho2  24  0.0000  0.2500  0.1250  1
  Mg  Mg3  96  0.0021  0.0796  0.1512  1
]