data_TlHg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   5.34
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHg2W
_chemical_formula_sum   'Tl1 Hg2 W1'
_cell_volume   86.38
_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  Tl2  1  0.48  0.67  0.0  1.0
  Hg  Hg0  1  0.0  0.67  0.74  1.0
  Hg  Hg1  1  0.48  0.0  0.74  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_TlHg2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.34
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHg2W
_chemical_formula_sum   'Tl1 Hg2 W1'
_cell_volume   86.38
_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  0.48  0.67  0.0  1.0
  Hg  Hg1  1  0.0  0.67  0.74  1.0
  Hg  Hg2  1  0.48  0.0  0.74  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Tl Hg Hg W
Tl Hg Hg W 0 1 o o - 0 1 + o - 0 3 o + o 0 3 + + o 0 2 o + - 1 2 - + o 1 2 o + o 1 3 o + + 2 3 o o + 2 3 + o + 