data_Tl2WCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   132.98
_cell_angle_beta   132.98
_cell_angle_gamma   68.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2WCl
_chemical_formula_sum   'Tl2 W1 Cl1'
_cell_volume   92.74
_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  0.24  0.0  0.32  1.0
  Tl  Tl2  1  0.0  0.24  0.32  1.0
  W  W3  1  0.0  0.0  0.63  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Tl2WCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   5.61
_cell_angle_alpha   90.0
_cell_angle_beta   124.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2WCl
_chemical_formula_sum   'Tl4 W2 Cl2'
_cell_volume   185.49
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.38  0.38  0.08  1.0
  W  W1  2  0.0  0.0  0.63  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Tl Tl W Cl