data_LiTcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcIr
_chemical_formula_sum   'Li1 Tc1 Ir1'
_cell_volume   40.19
_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  0.0  0.0  0.87  1.0
  Tc  Tc2  1  0.0  0.4  0.75  1.0
  Ir  Ir0  1  0.08  0.2  0.06  1.0

data_LiTcIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.16
_cell_length_c   4.16
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcIr
_chemical_formula_sum   'Li1 Tc1 Ir1'
_cell_volume   40.19
_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  0.87  0.0  0.0  1.0
  Tc  Tc1  1  0.75  0.0  0.4  1.0
  Ir  Ir2  1  0.06  0.08  0.2  1.0

Li Tc Ir