data_Hf2TaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaSi
_chemical_formula_sum   'Hf2 Ta1 Si1'
_cell_volume   76.28
_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  0.0  0.07  1.0
  Hf  Hf1  1  0.89  0.0  0.05  1.0
  Ta  Ta3  1  0.89  0.0  0.39  1.0
  Si  Si2  1  0.0  0.0  0.13  1.0

data_Hf2TaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   8.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TaSi
_chemical_formula_sum   'Hf2 Ta1 Si1'
_cell_volume   76.28
_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  0.0  0.07  1.0
  Hf  Hf1  1  0.89  0.0  0.05  1.0
  Ta  Ta2  1  0.89  0.0  0.39  1.0
  Si  Si3  1  0.0  0.0  0.13  1.0

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