data_Li2TcW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   4.34
_cell_angle_alpha   121.3
_cell_angle_beta   121.3
_cell_angle_gamma   87.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcW
_chemical_formula_sum   'Li2 Tc1 W1'
_cell_volume   56.5
_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  0.13  0.0  0.56  1.0
  Tc  Tc2  1  0.0  0.0  0.13  1.0
  W  W3  1  0.0  0.13  0.56  1.0

data_Li2TcW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   4.34
_cell_angle_alpha   119.35
_cell_angle_beta   119.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2TcW
_chemical_formula_sum   'Li2 Tc1 W1'
_cell_volume   56.5
_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  0.56  0.44  0.44  1.0
  Tc  Tc2  1  0.13  0.13  0.13  1.0
  W  W3  1  0.44  0.56  0.44  1.0

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