data_Tl2BiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   5.08
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   102.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiW
_chemical_formula_sum   'Tl2 Bi1 W1'
_cell_volume   98.5
_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  0.02  0.0  0.04  1.0
  Tl  Tl2  1  0.56  0.54  0.63  1.0
  Bi  Bi0  1  0.15  0.54  0.45  1.0
  W  W3  1  0.47  0.0  0.08  1.0

data_Tl2BiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.08
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   102.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2BiW
_chemical_formula_sum   'Tl2 Bi1 W1'
_cell_volume   98.5
_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  0.02  0.0  0.04  1.0
  Tl  Tl1  1  0.56  0.54  0.63  1.0
  Bi  Bi2  1  0.15  0.54  0.45  1.0
  W  W3  1  0.47  0.0  0.08  1.0

Tl Tl Bi W
Tl Tl Bi W 0 3 o o o 1 2 o o o 