data_LiLaTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   4.35
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaTc2
_chemical_formula_sum   'Li1 La1 Tc2'
_cell_volume   72.18
_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  0.0  1.0
  La  La0  1  0.7  0.17  0.0  1.0
  Tc  Tc2  1  0.0  0.17  0.44  1.0
  Tc  Tc3  1  0.7  0.0  0.44  1.0

data_LiLaTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.35
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiLaTc2
_chemical_formula_sum   'Li1 La1 Tc2'
_cell_volume   72.18
_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  0.0  1.0
  La  La1  1  0.7  0.17  0.0  1.0
  Tc  Tc2  1  0.0  0.17  0.44  1.0
  Tc  Tc3  1  0.7  0.0  0.44  1.0

Li La Tc Tc
Li La Tc Tc 0 1 - o o 2 3 - o o 