data_Hf2GaNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07
_cell_length_b   3.72
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   91.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GaNi
_chemical_formula_sum   'Hf2 Ga1 Ni1'
_cell_volume   68.63
_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  0.43  0.86  0.56  1.0
  Hf  Hf2  1  0.48  0.86  0.45  1.0
  Ga  Ga0  1  0.92  0.0  0.01  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

data_Hf2GaNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.72
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   91.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2GaNi
_chemical_formula_sum   'Hf2 Ga1 Ni1'
_cell_volume   68.63
_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  0.43  0.86  0.56  1.0
  Hf  Hf1  1  0.48  0.86  0.45  1.0
  Ga  Ga2  1  0.92  0.0  0.01  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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