data_[Hf8Nb4Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4591]
_cell_length_b [14.2643]
_cell_length_c [5.0901]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Hf2NbGa2]
_chemical_formula_sum '[Hf8 Nb4 Ga8]'
_cell_volume [396.3674]
_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
[
  Hf  Hf0  4  0.0000  0.1945  0.2500  1
  Hf  Hf1  4  0.0000  0.4249  0.7500  1
  Nb  Nb2  4  0.0000  0.0000  0.0000  1
  Ga  Ga3  8  0.2413  0.6372  0.7500  1
]