data_Tl2FeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   5.31
_cell_angle_alpha   102.07
_cell_angle_beta   102.07
_cell_angle_gamma   35.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeW
_chemical_formula_sum   'Tl2 Fe1 W1'
_cell_volume   73.11
_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  0.53  0.0  0.94  1.0
  Tl  Tl2  1  0.63  0.0  0.24  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.08  0.0  0.59  1.0

data_Tl2FeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   4.9
_cell_length_c   5.31
_cell_angle_alpha   102.07
_cell_angle_beta   90.0
_cell_angle_gamma   107.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2FeW
_chemical_formula_sum   'Tl2 Fe1 W1'
_cell_volume   73.11
_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  0.37  0.76  1.0
  Tl  Tl1  1  0.0  0.47  0.06  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.92  0.41  1.0

Tl Tl Fe W