data_HfTaSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.38
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   100.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaSb2
_chemical_formula_sum   'Hf1 Ta1 Sb2'
_cell_volume   86.27
_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  0.0  1.0
  Ta  Ta3  1  0.03  0.0  0.07  1.0
  Sb  Sb1  1  0.01  0.19  0.56  1.0
  Sb  Sb2  1  0.04  0.19  0.58  1.0

data_HfTaSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.38
_cell_length_c   6.25
_cell_angle_alpha   90.0
_cell_angle_beta   100.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaSb2
_chemical_formula_sum   'Hf1 Ta1 Sb2'
_cell_volume   86.27
_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  0.0  1.0
  Ta  Ta1  1  0.03  0.0  0.07  1.0
  Sb  Sb2  1  0.01  0.19  0.56  1.0
  Sb  Sb3  1  0.04  0.19  0.58  1.0

Hf Ta Sb Sb
Hf Ta Sb Sb 0 1 o o o 2 3 o o o 