data_TlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.64
_cell_length_b   6.64
_cell_length_c   5.02
_cell_angle_alpha   112.15
_cell_angle_beta   112.15
_cell_angle_gamma   24.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlW
_chemical_formula_sum   'Tl2 W2'
_cell_volume   85.2
_cell_formula_units_Z   2
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  0.4  0.0  0.94  1.0
  Tl  Tl1  1  0.64  0.0  0.68  1.0
  W  W2  1  0.73  0.0  0.24  1.0
  W  W3  1  0.31  0.0  0.39  1.0

data_TlW
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.84
_cell_length_b   5.02
_cell_length_c   6.64
_cell_angle_alpha   112.15
_cell_angle_beta   102.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlW
_chemical_formula_sum   'Tl2 W2'
_cell_volume   85.2
_cell_formula_units_Z   2
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
  Tl  Tl0  2  0.0  0.37  0.62  1.0
  W  W1  2  0.0  0.08  0.29  1.0

Tl Tl W W