data_[Nd24Ga8]
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
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [12.4304]
_cell_length_b [12.4304]
_cell_length_c [6.3007]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Nd3Ga]
_chemical_formula_sum '[Nd24 Ga8]'
_cell_volume [973.5505]
_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  0.0374  0.3647  0.9859  1
  Nd  Nd1  8  0.0784  0.8804  0.7352  1
  Nd  Nd2  8  0.1733  0.7848  0.2404  1
  Ga  Ga3  8  0.0497  0.2992  0.4802  1
]