data_TlFe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2W
_chemical_formula_sum   'Tl1 Fe2 W1'
_cell_volume   64.66
_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  0.62  0.0  0.42  1.0
  Fe  Fe0  1  0.62  0.0  0.52  1.0
  Fe  Fe1  1  0.0  0.0  0.74  1.0
  W  W3  1  0.0  0.0  0.86  1.0

data_TlFe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   8.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFe2W
_chemical_formula_sum   'Tl1 Fe2 W1'
_cell_volume   64.66
_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  0.62  0.0  0.42  1.0
  Fe  Fe1  1  0.0  0.0  0.74  1.0
  Fe  Fe2  1  0.62  0.0  0.52  1.0
  W  W3  1  0.0  0.0  0.86  1.0

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