data_Hf2NbGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.68
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NbGa
_chemical_formula_sum   'Hf2 Nb1 Ga1'
_cell_volume   77.22
_cell_formula_units_Z   1
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  Hf1  1  0.61  0.84  0.61  1.0
  Hf  Hf2  1  0.61  0.84  0.93  1.0
  Nb  Nb3  1  0.0  0.0  0.27  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_Hf2NbGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.68
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2NbGa
_chemical_formula_sum   'Hf2 Nb1 Ga1'
_cell_volume   77.22
_cell_formula_units_Z   1
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  1  0.61  0.84  0.61  1.0
  Hf  Hf1  1  0.61  0.84  0.93  1.0
  Nb  Nb2  1  0.0  0.0  0.27  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Hf Hf Nb Ga
Hf Hf Nb Ga 0 1 o o o 1 3 + + + 2 3 o o o 