data_TlW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   8.74
_cell_angle_alpha   113.3
_cell_angle_beta   113.3
_cell_angle_gamma   33.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlW
_chemical_formula_sum   'Tl3 W3'
_cell_volume   124.4
_cell_formula_units_Z   3
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  0.87  0.0  0.94  1.0
  Tl  Tl1  1  0.29  0.0  0.21  1.0
  Tl  Tl2  1  0.75  0.0  0.88  1.0
  W  W3  1  0.92  0.0  0.64  1.0
  W  W4  1  0.16  0.0  0.0  1.0
  W  W5  1  0.27  0.0  0.83  1.0

data_TlW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.32
_cell_length_c   8.24
_cell_angle_alpha   76.91
_cell_angle_beta   79.27
_cell_angle_gamma   73.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlW
_chemical_formula_sum   'Tl3 W3'
_cell_volume   124.4
_cell_formula_units_Z   3
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  0.08  0.21  1.0
  Tl  Tl1  1  0.0  0.87  0.88  1.0
  Tl  Tl2  1  0.0  0.93  0.94  1.0
  W  W3  1  0.0  0.16  0.0  1.0
  W  W4  1  0.0  0.28  0.64  1.0
  W  W5  1  0.0  0.44  0.83  1.0

Tl Tl Tl W W W