data_Li2TcBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   3.02
_cell_angle_alpha   99.02
_cell_angle_beta   99.02
_cell_angle_gamma   120.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcBi
_chemical_formula_sum   'Li2 Tc1 Bi1'
_cell_volume   73.22
_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  0.87  0.64  0.43  1.0
  Li  Li2  1  0.87  0.36  0.43  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.7  0.0  0.0  1.0

data_Li2TcBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   5.29
_cell_length_c   5.44
_cell_angle_alpha   114.67
_cell_angle_beta   99.02
_cell_angle_gamma   104.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcBi
_chemical_formula_sum   'Li2 Tc1 Bi1'
_cell_volume   73.22
_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  0.07  0.64  0.51  1.0
  Li  Li1  1  0.8  0.36  0.23  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  Bi  Bi3  1  0.0  0.0  0.7  1.0

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