data_Tl2FeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   148.52
_cell_angle_beta   125.19
_cell_angle_gamma   64.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeW
_chemical_formula_sum   'Tl2 Fe1 W1'
_cell_volume   74.25
_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  0.0  0.58  0.57  1.0
  Tl  Tl2  1  0.52  0.0  0.17  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.74  1.0

data_Tl2FeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.16
_cell_length_c   5.6
_cell_angle_alpha   117.41
_cell_angle_beta   105.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeW
_chemical_formula_sum   'Tl2 Fe1 W1'
_cell_volume   74.25
_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  0.17  0.65  1.0
  Tl  Tl1  1  0.42  0.99  0.99  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.74  0.74  1.0

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