data_HfTcBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.79
_cell_length_b   10.79
_cell_length_c   10.79
_cell_angle_alpha   17.8
_cell_angle_beta   17.8
_cell_angle_gamma   17.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcBi2
_chemical_formula_sum   'Hf1 Tc1 Bi2'
_cell_volume   102.58
_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  Hf2  1  0.0  0.0  0.42  1.0
  Tc  Tc3  1  0.0  0.0  0.69  1.0
  Bi  Bi0  1  0.0  0.0  0.13  1.0
  Bi  Bi1  1  0.0  0.0  0.39  1.0

data_HfTcBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.79
_cell_length_b   3.34
_cell_length_c   10.79
_cell_angle_alpha   90.0
_cell_angle_beta   100.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTcBi2
_chemical_formula_sum   'Hf2 Tc2 Bi4'
_cell_volume   205.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.58  1.0
  Tc  Tc1  2  0.0  0.0  0.31  1.0
  Bi  Bi2  2  0.0  0.0  0.61  1.0
  Bi  Bi3  2  0.0  0.0  0.87  1.0

Hf Tc Bi Bi
Hf Tc Bi Bi 0 3 o o o 0 1 o o o 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 