data_YHfGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   126.75
_cell_angle_beta   126.75
_cell_angle_gamma   78.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YHfGa2
_chemical_formula_sum   'Y1 Hf1 Ga2'
_cell_volume   81.95
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Hf  Hf2  1  0.0  0.0  0.94  1.0
  Ga  Ga0  1  0.28  0.0  0.97  1.0
  Ga  Ga1  1  0.0  0.28  0.97  1.0

data_YHfGa2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   129.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YHfGa2
_chemical_formula_sum   'Y2 Hf2 Ga4'
_cell_volume   163.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.0  1.0
  Hf  Hf1  2  0.06  0.0  0.06  1.0
  Ga  Ga2  4  0.17  0.14  0.31  1.0

Y Hf Ga Ga