data_Li2TcW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   4.61
_cell_angle_alpha   98.45
_cell_angle_beta   98.45
_cell_angle_gamma   30.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcW
_chemical_formula_sum   'Li2 Tc1 W1'
_cell_volume   60.42
_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  0.96  0.0  0.44  1.0
  Li  Li1  1  0.25  0.0  0.12  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.6  0.0  0.28  1.0

data_Li2TcW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.61
_cell_length_c   5.13
_cell_angle_alpha   98.45
_cell_angle_beta   105.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcW
_chemical_formula_sum   'Li2 Tc1 W1'
_cell_volume   60.42
_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  0.12  0.25  1.0
  Li  Li1  1  0.0  0.44  0.96  1.0
  Tc  Tc2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.28  0.6  1.0

Li Li Tc W
Li Li Tc W 0 3 o o o 0 2 + o o 0 1 + o o 1 2 o o o 1 3 o o o 