data_HfGaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   137.5
_cell_angle_beta   137.5
_cell_angle_gamma   61.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaSi2
_chemical_formula_sum   'Hf1 Ga1 Si2'
_cell_volume   65.34
_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  0.0  0.9  0.25  1.0
  Ga  Ga0  1  0.0  0.0  0.51  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.9  0.0  0.25  1.0

data_HfGaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   5.25
_cell_angle_alpha   111.25
_cell_angle_beta   111.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGaSi2
_chemical_formula_sum   'Hf1 Ga1 Si2'
_cell_volume   65.34
_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  0.35  0.25  0.35  1.0
  Ga  Ga1  1  0.51  0.51  0.51  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.25  0.35  0.35  1.0

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