data_[Nb4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.0822]
_cell_length_b [5.0822]
_cell_length_c [8.5290]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [NbGa2]
_chemical_formula_sum '[Nb4 Ga8]'
_cell_volume [190.7783]
_cell_formula_units_Z [4]
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
[
  Nb  Nb0  4  0.3333  0.6667  0.0596  1
  Ga  Ga1  6  0.1713  0.3427  0.7500  1
  Ga  Ga2  2  0.0000  0.0000  0.0000  1
]