data_HfZn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.5
_cell_length_b   9.5
_cell_length_c   9.5
_cell_angle_alpha   17.27
_cell_angle_beta   17.27
_cell_angle_gamma   17.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZn2Tc
_chemical_formula_sum   'Hf1 Zn2 Tc1'
_cell_volume   65.94
_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  0.0  0.0  0.04  1.0
  Zn  Zn2  1  0.0  0.0  0.89  1.0
  Zn  Zn3  1  0.0  0.0  0.18  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0

data_HfZn2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   2.85
_cell_length_c   9.5
_cell_angle_alpha   90.0
_cell_angle_beta   99.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfZn2Tc
_chemical_formula_sum   'Hf2 Zn4 Tc2'
_cell_volume   131.88
_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  0.96  1.0
  Zn  Zn1  2  0.0  0.0  0.11  1.0
  Zn  Zn2  2  0.0  0.0  0.82  1.0
  Tc  Tc3  2  0.0  0.0  0.0  1.0

Hf Zn Zn Tc
Hf Zn Zn Tc 0 3 o o o 0 2 o o o 1 3 o o + 