data_TlHg2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHg2W
_chemical_formula_sum   'Tl1 Hg2 W1'
_cell_volume   89.1
_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  0.0  0.0  0.23  1.0
  Hg  Hg0  1  0.76  0.0  0.29  1.0
  Hg  Hg1  1  0.76  0.0  0.16  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   2.99
_cell_length_b   2.99
_cell_length_c   10.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlHg2W
_chemical_formula_sum   'Tl1 Hg2 W1'
_cell_volume   89.1
_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  0.0  0.0  0.23  1.0
  Hg  Hg1  1  0.76  0.0  0.16  1.0
  Hg  Hg2  1  0.76  0.0  0.29  1.0
  W  W3  1  0.0  0.0  0.0  1.0

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