data_[Nd20Ga4Ni8]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [7.8713]
_cell_length_b [7.8713]
_cell_length_c [13.3002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Nd5GaNi2]
_chemical_formula_sum '[Nd20 Ga4 Ni8]'
_cell_volume [824.0376]
_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  0.1617  0.3383  0.6409  1
  Nd  Nd1  4  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0000  0.0000  0.2500  1
  Ni  Ni3  8  0.1216  0.3784  0.0000  1
]