data_HfGaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   3.66
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaCo2
_chemical_formula_sum   'Hf1 Ga1 Co2'
_cell_volume   57.04
_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  Hf3  1  0.49  0.83  0.08  1.0
  Ga  Ga2  1  0.0  0.0  0.35  1.0
  Co  Co0  1  0.0  0.0  0.14  1.0
  Co  Co1  1  0.49  0.83  0.48  1.0

data_HfGaCo2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.66
_cell_length_b   2.98
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfGaCo2
_chemical_formula_sum   'Hf1 Ga1 Co2'
_cell_volume   57.04
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.5  0.08  1.0
  Ga  Ga1  1  0.0  0.0  0.35  1.0
  Co  Co2  1  0.0  0.0  0.14  1.0
  Co  Co3  1  0.83  0.5  0.48  1.0

Hf Ga Co Co
Hf Ga Co Co 0 2 o + o 0 2 + + o 1 2 o o o 1 3 o - o 1 3 - - o 