data_HfTcB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   41.46
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcB2
_chemical_formula_sum   'Hf1 Tc1 B2'
_cell_volume   44.94
_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  0.56  0.0  0.89  1.0
  Tc  Tc3  1  0.0  0.0  0.41  1.0
  B  B0  1  0.56  0.0  0.05  1.0
  B  B1  1  0.0  0.0  0.11  1.0

data_HfTcB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   3.3
_cell_length_c   4.66
_cell_angle_alpha   110.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcB2
_chemical_formula_sum   'Hf1 Tc1 B2'
_cell_volume   44.94
_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  0.44  0.89  0.89  1.0
  Tc  Tc1  1  0.0  0.41  0.41  1.0
  B  B2  1  0.0  0.11  0.11  1.0
  B  B3  1  0.44  0.05  0.05  1.0

Hf Tc B B