data_HfTaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   5.58
_cell_angle_alpha   135.12
_cell_angle_beta   135.12
_cell_angle_gamma   65.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaSb2
_chemical_formula_sum   'Hf1 Ta1 Sb2'
_cell_volume   85.36
_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  0.0  0.0  0.7  1.0
  Ta  Ta3  1  0.13  0.0  0.35  1.0
  Sb  Sb1  1  0.0  0.13  0.35  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0

data_HfTaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   5.58
_cell_angle_alpha   112.44
_cell_angle_beta   112.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaSb2
_chemical_formula_sum   'Hf1 Ta1 Sb2'
_cell_volume   85.36
_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  0.3  0.0  0.3  1.0
  Ta  Ta1  1  0.65  0.0  0.78  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.78  0.13  0.78  1.0

Hf Ta Sb Sb