data_HfTc2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   4.73
_cell_angle_alpha   106.1
_cell_angle_beta   106.1
_cell_angle_gamma   35.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTc2Br
_chemical_formula_sum   'Hf1 Tc2 Br1'
_cell_volume   69.22
_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  0.94  0.0  0.28  1.0
  Tc  Tc2  1  0.31  0.0  0.14  1.0
  Tc  Tc3  1  0.41  0.0  0.66  1.0
  Br  Br0  1  0.32  0.0  0.22  1.0

data_HfTc2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.73
_cell_length_c   5.13
_cell_angle_alpha   106.1
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTc2Br
_chemical_formula_sum   'Hf1 Tc2 Br1'
_cell_volume   69.22
_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  0.28  0.94  1.0
  Tc  Tc1  1  0.0  0.14  0.31  1.0
  Tc  Tc2  1  0.0  0.66  0.41  1.0
  Br  Br3  1  0.0  0.22  0.32  1.0

Hf Tc Tc Br