data_HfCoTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   134.88
_cell_angle_beta   134.88
_cell_angle_gamma   65.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCoTc2
_chemical_formula_sum   'Hf1 Co1 Tc2'
_cell_volume   60.46
_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  0.17  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.9  0.08  1.0
  Tc  Tc3  1  0.9  0.0  0.08  1.0

data_HfCoTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   4.96
_cell_angle_alpha   90.0
_cell_angle_beta   122.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCoTc2
_chemical_formula_sum   'Hf2 Co2 Tc4'
_cell_volume   120.93
_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  0.17  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  4  0.05  0.05  0.18  1.0

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