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 [5.0910]
_cell_length_b [5.0910]
_cell_length_c [24.8393]
_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 [557.5440]
_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  0.3776  1
  Nd  Nd1  3  0.0000  0.0000  0.5068  1
  Nd  Nd2  3  0.0000  0.0000  0.9903  1
  Ga  Ga3  3  0.0000  0.0000  0.8648  1
  Ni  Ni4  9  0.0020  0.5010  0.4404  1
  Ni  Ni5  9  0.0031  0.5016  0.9371  1
  Ni  Ni6  3  0.0000  0.0000  0.1893  1
  Ni  Ni7  3  0.0000  0.0000  0.6888  1
]