data_LiTc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.4
_cell_length_b   8.4
_cell_length_c   8.4
_cell_angle_alpha   20.0
_cell_angle_beta   20.0
_cell_angle_gamma   20.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTc2Cl
_chemical_formula_sum   'Li1 Tc2 Cl1'
_cell_volume   60.57
_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  0.78  1.0
  Tc  Tc2  1  0.0  0.0  0.56  1.0
  Tc  Tc3  1  0.0  0.0  0.18  1.0
  Cl  Cl0  1  0.0  0.0  0.17  1.0

data_LiTc2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   2.92
_cell_length_c   8.4
_cell_angle_alpha   90.0
_cell_angle_beta   101.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LiTc2Cl
_chemical_formula_sum   'Li2 Tc4 Cl2'
_cell_volume   121.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.22  1.0
  Tc  Tc1  2  0.0  0.0  0.82  1.0
  Tc  Tc2  2  0.0  0.0  0.44  1.0
  Cl  Cl3  2  0.0  0.0  0.83  1.0

Li Tc Tc Cl