data_LiTlTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.01
_cell_angle_alpha   147.41
_cell_angle_beta   129.0
_cell_angle_gamma   61.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlTc
_chemical_formula_sum   'Li1 Tl1 Tc1'
_cell_volume   52.1
_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  0.03  1.0
  Tl  Tl2  1  0.0  0.0  0.86  1.0
  Tc  Tc1  1  0.0  0.0  0.71  1.0

data_LiTlTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.31
_cell_length_c   5.01
_cell_angle_alpha   115.5
_cell_angle_beta   106.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTlTc
_chemical_formula_sum   'Li1 Tl1 Tc1'
_cell_volume   52.1
_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  0.97  0.97  0.97  1.0
  Tl  Tl1  1  0.14  0.14  0.14  1.0
  Tc  Tc2  1  0.29  0.29  0.29  1.0

Li Tl Tc
Li Tl Tc 0 1 o o - 1 2 o o o 