data_HfCr2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   4.57
_cell_angle_alpha   126.81
_cell_angle_beta   126.81
_cell_angle_gamma   78.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Ga
_chemical_formula_sum   'Hf1 Cr2 Ga1'
_cell_volume   59.29
_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  Hf3  1  0.0  0.05  0.77  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.05  0.0  0.77  1.0
  Ga  Ga2  1  0.0  0.0  0.54  1.0

data_HfCr2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.09
_cell_length_c   4.57
_cell_angle_alpha   116.59
_cell_angle_beta   116.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Ga
_chemical_formula_sum   'Hf1 Cr2 Ga1'
_cell_volume   59.29
_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  0.72  0.77  0.72  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.77  0.72  0.72  1.0
  Ga  Ga3  1  0.54  0.54  0.54  1.0

Hf Cr Cr Ga