data_TlPbW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.51
_cell_angle_alpha   135.41
_cell_angle_beta   135.41
_cell_angle_gamma   64.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlPbW2
_chemical_formula_sum   'Tl1 Pb1 W2'
_cell_volume   81.11
_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  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.0  0.65  1.0
  W  W2  1  0.09  0.0  0.32  1.0
  W  W3  1  0.0  0.09  0.32  1.0

data_TlPbW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.51
_cell_angle_alpha   90.0
_cell_angle_beta   122.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlPbW2
_chemical_formula_sum   'Tl2 Pb2 W4'
_cell_volume   162.22
_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  2  0.0  0.0  0.0  1.0
  Pb  Pb1  2  0.35  0.0  0.35  1.0
  W  W2  4  0.22  0.46  0.77  1.0

Tl Pb W W