data_HfZrGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   4.05
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   93.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrGa2
_chemical_formula_sum   'Hf1 Zr1 Ga2'
_cell_volume   74.29
_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  Hf2  1  0.83  0.0  0.03  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.43  0.02  0.54  1.0
  Ga  Ga1  1  0.27  0.02  0.51  1.0

data_HfZrGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.05
_cell_length_c   6.06
_cell_angle_alpha   90.0
_cell_angle_beta   93.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZrGa2
_chemical_formula_sum   'Hf1 Zr1 Ga2'
_cell_volume   74.29
_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  0.83  0.0  0.03  1.0
  Zr  Zr1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.27  0.02  0.51  1.0
  Ga  Ga3  1  0.43  0.02  0.54  1.0

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