data_[Nd16Ga8Ni24]
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 [Fmmm]
_cell_length_a [7.8104]
_cell_length_b [8.4033]
_cell_length_c [14.3014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Nd2GaNi3]
_chemical_formula_sum '[Nd16 Ga8 Ni24]'
_cell_volume [938.6504]
_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  8  0.2433  0.0000  0.0000  1.0
  Nd  Nd1  8  0.2500  0.2500  0.2500  1.0
  Ga  Ga2  8  0.0000  0.0000  0.3334  1.0
  Ni  Ni3  16  0.0000  0.2499  0.4165  1.0
  Ni  Ni4  8  0.0000  0.0000  0.1648  1.0
]