data_HfGa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGa2Te
_chemical_formula_sum   'Hf1 Ga2 Te1'
_cell_volume   91.36
_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  Hf2  1  0.06  0.0  0.65  1.0
  Ga  Ga0  1  0.06  0.0  0.37  1.0
  Ga  Ga1  1  0.0  0.0  0.54  1.0
  Te  Te3  1  0.0  0.0  0.58  1.0

data_HfGa2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfGa2Te
_chemical_formula_sum   'Hf1 Ga2 Te1'
_cell_volume   91.36
_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  0.06  0.0  0.65  1.0
  Ga  Ga1  1  0.0  0.0  0.54  1.0
  Ga  Ga2  1  0.06  0.0  0.37  1.0
  Te  Te3  1  0.0  0.0  0.58  1.0

Hf Ga Ga Te
Hf Ga Ga Te 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o o o 