data_Li2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   137.26
_cell_angle_beta   137.26
_cell_angle_gamma   62.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcBr
_chemical_formula_sum   'Li2 Tc1 Br1'
_cell_volume   58.47
_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  0.84  0.16  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.84  0.0  0.16  1.0
  Br  Br0  1  0.0  0.0  0.32  1.0

data_Li2TcBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.68
_cell_length_c   5.05
_cell_angle_alpha   111.37
_cell_angle_beta   111.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcBr
_chemical_formula_sum   'Li2 Tc1 Br1'
_cell_volume   58.47
_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
  Li  Li1  1  0.68  0.84  0.68  1.0
  Tc  Tc2  1  0.84  0.0  0.68  1.0
  Br  Br3  1  0.68  0.0  0.68  1.0

Li Li Tc Br