data_Tl2ReW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38
_cell_length_b   5.38
_cell_length_c   5.26
_cell_angle_alpha   105.6
_cell_angle_beta   105.6
_cell_angle_gamma   35.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ReW
_chemical_formula_sum   'Tl2 Re1 W1'
_cell_volume   84.22
_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  0.66  0.0  0.91  1.0
  Tl  Tl2  1  0.45  0.0  0.4  1.0
  Re  Re0  1  0.09  0.0  0.67  1.0
  W  W3  1  0.74  0.0  0.63  1.0

data_Tl2ReW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   5.26
_cell_length_c   5.38
_cell_angle_alpha   105.6
_cell_angle_beta   107.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2ReW
_chemical_formula_sum   'Tl2 Re1 W1'
_cell_volume   84.22
_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  0.4  0.45  1.0
  Tl  Tl1  1  0.0  0.91  0.66  1.0
  Re  Re2  1  0.0  0.67  0.09  1.0
  W  W3  1  0.0  0.63  0.74  1.0

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