data_TlSiW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.17
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   95.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiW2
_chemical_formula_sum   'Tl1 Si1 W2'
_cell_volume   70.77
_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  0.63  0.0  0.55  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.85  0.59  0.8  1.0
  W  W3  1  0.56  0.59  0.29  1.0

data_TlSiW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.17
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   95.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiW2
_chemical_formula_sum   'Tl1 Si1 W2'
_cell_volume   70.77
_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  0.63  0.0  0.55  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.56  0.59  0.29  1.0
  W  W3  1  0.85  0.59  0.8  1.0

Tl Si W W
Tl Si W W 0 3 o - o 0 3 o o o 0 2 o - o 0 2 o o o 1 2 - - - 1 2 - o - 1 3 o - o 1 3 - - o 