data_[Nd6Al16Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3893]
_cell_length_b [10.1306]
_cell_length_c [12.9522]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3Al8Ga3]
_chemical_formula_sum '[Nd6 Al16 Ga6]'
_cell_volume [575.9362]
_cell_formula_units_Z [2]
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  4  0.0000  0.0000  0.1782  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Al  Al2  8  0.0000  0.2715  0.3597  1.0
  Al  Al3  8  0.0000  0.3712  0.1659  1.0
  Ga  Ga4  4  0.0000  0.2214  0.0000  1.0
  Ga  Ga5  2  0.0000  0.5000  0.5000  1.0
]