data_TlTcW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   2.83
_cell_angle_alpha   98.39
_cell_angle_beta   98.39
_cell_angle_gamma   117.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTcW2
_chemical_formula_sum   'Tl1 Tc1 W2'
_cell_volume   68.73
_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
  Tl  Tl1  1  0.76  0.0  0.0  1.0
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.98  0.71  0.36  1.0
  W  W3  1  0.98  0.29  0.36  1.0

data_TlTcW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   117.94
_cell_angle_beta   98.39
_cell_angle_gamma   98.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlTcW2
_chemical_formula_sum   'Tl1 Tc1 W2'
_cell_volume   68.73
_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
  Tl  Tl0  1  0.0  0.76  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.36  0.98  0.71  1.0
  W  W3  1  0.36  0.98  0.29  1.0

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