data_LiTcW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   5.13
_cell_angle_alpha   92.24
_cell_angle_beta   92.24
_cell_angle_gamma   31.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcW2
_chemical_formula_sum   'Li1 Tc1 W2'
_cell_volume   61.01
_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
  Tc  Tc1  1  0.47  0.0  0.56  1.0
  W  W2  1  0.14  0.0  0.88  1.0
  W  W3  1  0.81  0.0  0.25  1.0

data_LiTcW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.76
_cell_length_c   5.13
_cell_angle_alpha   92.24
_cell_angle_beta   90.0
_cell_angle_gamma   105.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTcW2
_chemical_formula_sum   'Li1 Tc1 W2'
_cell_volume   61.01
_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
  Tc  Tc1  1  0.0  0.53  0.44  1.0
  W  W2  1  0.0  0.19  0.75  1.0
  W  W3  1  0.0  0.86  0.12  1.0

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