data_HfTa2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   4.8
_cell_angle_alpha   104.21
_cell_angle_beta   104.21
_cell_angle_gamma   37.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Si
_chemical_formula_sum   'Hf1 Ta2 Si1'
_cell_volume   71.92
_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  0.15  0.0  0.32  1.0
  Ta  Ta2  1  0.75  0.0  0.04  1.0
  Ta  Ta3  1  0.55  0.0  0.59  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0

data_HfTa2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.8
_cell_length_c   5.04
_cell_angle_alpha   104.21
_cell_angle_beta   108.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Si
_chemical_formula_sum   'Hf1 Ta2 Si1'
_cell_volume   71.92
_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  0.32  0.15  1.0
  Ta  Ta1  1  0.0  0.04  0.75  1.0
  Ta  Ta2  1  0.0  0.59  0.55  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Hf Ta Ta Si