data_HfCrGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   2.81
_cell_angle_alpha   93.59
_cell_angle_beta   93.59
_cell_angle_gamma   112.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrGa2
_chemical_formula_sum   'Hf1 Cr1 Ga2'
_cell_volume   63.59
_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  0.76  0.0  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.22  0.07  0.4  1.0
  Ga  Ga2  1  0.22  0.93  0.4  1.0

data_HfCrGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   112.59
_cell_angle_beta   93.59
_cell_angle_gamma   93.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrGa2
_chemical_formula_sum   'Hf1 Cr1 Ga2'
_cell_volume   63.59
_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  -0.0  0.76  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.4  0.22  0.93  1.0
  Ga  Ga3  1  0.4  0.22  0.07  1.0

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