data_Tc2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   4.26
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2W
_chemical_formula_sum   'Tc8 W4'
_cell_volume   183.26
_cell_formula_units_Z   4
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
  Tc  Tc0  1  0.21  0.07  0.83  1.0
  Tc  Tc1  1  0.91  0.07  0.47  1.0
  Tc  Tc2  1  0.8  0.2  0.52  1.0
  Tc  Tc3  1  0.51  0.2  0.79  1.0
  Tc  Tc4  1  0.92  0.07  0.12  1.0
  Tc  Tc5  1  0.63  0.07  0.4  1.0
  Tc  Tc6  1  0.52  0.2  0.44  1.0
  Tc  Tc7  1  0.23  0.2  0.08  1.0
  W  W8  1  0.93  0.07  0.14  1.0
  W  W9  1  0.78  0.2  0.18  1.0
  W  W10  1  0.65  0.07  0.73  1.0
  W  W11  1  0.5  0.2  0.78  1.0

data_Tc2W
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.26
_cell_length_b   5.43
_cell_length_c   7.91
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Tc2W
_chemical_formula_sum   'Tc8 W4'
_cell_volume   183.26
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Tc  Tc0  2  0.43  0.2  0.52  1.0
  Tc  Tc1  2  0.43  0.21  0.17  1.0
  Tc  Tc2  2  0.43  0.49  0.88  1.0
  Tc  Tc3  2  0.43  0.91  0.44  1.0
  W  W4  2  0.43  0.22  0.18  1.0
  W  W5  2  0.43  0.93  0.78  1.0

Tc Tc Tc Tc Tc Tc Tc Tc W W W W
Tc Tc Tc Tc Tc Tc Tc Tc W W W W 0 11 o o o 0 3 o o o 0 7 o o + 1 2 o o o 3 11 o o o 3 10 o o o 4 8 o o o 4 7 + o o 4 9 o o o 5 6 o o o 7 8 - o o 8 9 o o o 10 11 o o o 