data_HfTcSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.98
_cell_angle_alpha   100.94
_cell_angle_beta   100.94
_cell_angle_gamma   42.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcSb2
_chemical_formula_sum   'Hf1 Tc1 Sb2'
_cell_volume   82.4
_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  0.66  0.0  0.93  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.25  0.0  0.56  1.0
  Sb  Sb2  1  0.07  0.0  0.3  1.0

data_HfTcSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   4.58
_cell_length_c   5.98
_cell_angle_alpha   100.94
_cell_angle_beta   90.0
_cell_angle_gamma   111.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcSb2
_chemical_formula_sum   'Hf1 Tc1 Sb2'
_cell_volume   82.4
_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  0.34  0.07  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Sb  Sb2  1  0.0  0.75  0.44  1.0
  Sb  Sb3  1  0.0  0.93  0.7  1.0

Hf Tc Sb Sb
Hf Tc Sb Sb 0 1 + o + 1 3 o o o 2 3 o o o 