data_HfTc2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.16
_cell_length_b   9.16
_cell_length_c   9.16
_cell_angle_alpha   20.04
_cell_angle_beta   20.04
_cell_angle_gamma   20.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTc2Bi
_chemical_formula_sum   'Hf1 Tc2 Bi1'
_cell_volume   78.92
_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  Hf1  1  0.0  0.0  0.05  1.0
  Tc  Tc2  1  0.0  0.0  0.1  1.0
  Tc  Tc3  1  0.0  0.0  0.88  1.0
  Bi  Bi0  1  0.0  0.0  0.34  1.0

data_HfTc2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.52
_cell_length_b   3.19
_cell_length_c   9.16
_cell_angle_alpha   90.0
_cell_angle_beta   101.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTc2Bi
_chemical_formula_sum   'Hf2 Tc4 Bi2'
_cell_volume   157.84
_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  0.95  1.0
  Tc  Tc1  2  -0.0  0.0  0.9  1.0
  Tc  Tc2  2  0.0  0.0  0.12  1.0
  Bi  Bi3  2  0.0  0.0  0.66  1.0

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