data_TlRe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe2W
_chemical_formula_sum   'Tl1 Re2 W1'
_cell_volume   69.66
_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  0.53  0.0  0.8  1.0
  Re  Re0  1  0.53  0.0  0.55  1.0
  Re  Re1  1  0.0  0.0  0.39  1.0
  W  W3  1  0.0  0.0  0.17  1.0

data_TlRe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   2.83
_cell_length_c   9.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlRe2W
_chemical_formula_sum   'Tl1 Re2 W1'
_cell_volume   69.66
_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  0.53  0.0  0.8  1.0
  Re  Re1  1  0.0  0.0  0.39  1.0
  Re  Re2  1  0.53  0.0  0.55  1.0
  W  W3  1  0.0  0.0  0.17  1.0

Tl Re Re W
Tl Re Re W 0 0 + + o 0 0 o + o 0 0 + o o 0 1 o o o 1 2 o o o 1 2 + o o 2 3 o o o 