data_LiCuTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.62
_cell_length_b   2.62
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuTc2
_chemical_formula_sum   'Li1 Cu1 Tc2'
_cell_volume   56.43
_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  0.28  1.0
  Cu  Cu0  1  0.46  0.0  0.44  1.0
  Tc  Tc2  1  0.46  0.0  0.84  1.0
  Tc  Tc3  1  0.0  0.0  0.66  1.0

data_LiCuTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.62
_cell_length_b   2.62
_cell_length_c   8.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuTc2
_chemical_formula_sum   'Li1 Cu1 Tc2'
_cell_volume   56.43
_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  0.0  0.28  1.0
  Tc  Tc1  1  0.0  0.0  0.66  1.0
  Cu  Cu2  1  0.46  0.0  0.44  1.0
  Tc  Tc3  1  0.46  0.0  0.84  1.0

Li Cu Tc Tc
Li Cu Tc Tc 0 1 - o o 0 1 o o o 1 3 o o o 1 3 + o o 2 3 o o o 2 3 + o o 3 3 o + o 3 3 + o o 