data_Li2TcMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.36
_cell_angle_alpha   92.05
_cell_angle_beta   92.05
_cell_angle_gamma   30.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcMo
_chemical_formula_sum   'Li2 Tc1 Mo1'
_cell_volume   60.31
_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  0.01  0.0  0.06  1.0
  Li  Li1  1  0.72  0.0  0.25  1.0
  Tc  Tc3  1  0.16  0.0  0.89  1.0
  Mo  Mo2  1  0.38  0.0  0.82  1.0

data_Li2TcMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   4.68
_cell_length_c   5.36
_cell_angle_alpha   92.05
_cell_angle_beta   90.0
_cell_angle_gamma   105.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcMo
_chemical_formula_sum   'Li2 Tc1 Mo1'
_cell_volume   60.31
_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  0.28  0.75  1.0
  Li  Li1  1  0.0  0.99  0.94  1.0
  Tc  Tc2  1  0.0  0.84  0.11  1.0
  Mo  Mo3  1  0.0  0.62  0.18  1.0

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