data_[Nd9Ga3Ni24]
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 [R3m]
_cell_length_a [5.0490]
_cell_length_b [5.0490]
_cell_length_c [24.6030]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Nd3GaNi8]
_chemical_formula_sum '[Nd9 Ga3 Ni24]'
_cell_volume [543.1707]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0097  1.0
  Nd  Nd1  3  0.0000  0.0000  0.4931  1.0
  Nd  Nd2  3  0.0000  0.0000  0.6224  1.0
  Ga  Ga3  3  0.0000  0.0000  0.1352  1.0
  Ni  Ni4  9  0.1677  0.3354  0.8929  1.0
  Ni  Ni5  9  0.1681  0.3363  0.3963  1.0
  Ni  Ni6  3  0.0000  0.0000  0.3111  1.0
  Ni  Ni7  3  0.0000  0.0000  0.8108  1.0
]