data_Li2HfTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   5.09
_cell_angle_alpha   108.88
_cell_angle_beta   108.88
_cell_angle_gamma   37.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfTc
_chemical_formula_sum   'Li2 Hf1 Tc1'
_cell_volume   68.11
_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
  Li  Li1  1  0.99  0.0  0.33  1.0
  Li  Li2  1  0.56  0.0  0.93  1.0
  Hf  Hf0  1  0.97  0.0  0.23  1.0
  Tc  Tc3  1  0.57  0.0  0.69  1.0

data_Li2HfTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.83
_cell_length_c   5.09
_cell_angle_alpha   108.88
_cell_angle_beta   90.0
_cell_angle_gamma   108.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2HfTc
_chemical_formula_sum   'Li2 Hf1 Tc1'
_cell_volume   68.11
_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
  Li  Li0  1  0.0  0.01  0.67  1.0
  Li  Li1  1  0.0  0.44  0.07  1.0
  Hf  Hf2  1  0.0  0.03  0.77  1.0
  Tc  Tc3  1  0.0  0.43  0.31  1.0

Li Li Hf Tc
Li Li Hf Tc 0 2 o o o 1 3 o o o 