data_HfCo2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCo2Tc
_chemical_formula_sum   'Hf1 Co2 Tc1'
_cell_volume   57.07
_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  0.57  0.57  0.78  1.0
  Co  Co0  1  0.57  0.57  0.76  1.0
  Co  Co1  1  0.0  0.0  0.32  1.0
  Tc  Tc3  1  0.0  0.0  0.56  1.0

data_HfCo2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   5.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfCo2Tc
_chemical_formula_sum   'Hf2 Co4 Tc2'
_cell_volume   114.13
_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  0.07  0.5  0.78  1.0
  Co  Co1  2  0.0  0.0  0.32  1.0
  Co  Co2  2  0.07  0.5  0.76  1.0
  Tc  Tc3  2  0.0  0.0  0.56  1.0

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