data_TlFeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   4.57
_cell_angle_alpha   106.51
_cell_angle_beta   106.51
_cell_angle_gamma   34.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFeW2
_chemical_formula_sum   'Tl1 Fe1 W2'
_cell_volume   64.61
_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  0.21  0.0  0.18  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  W  W2  1  0.55  0.0  0.37  1.0
  W  W3  1  0.88  0.0  0.99  1.0

data_TlFeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.57
_cell_length_c   5.12
_cell_angle_alpha   106.51
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlFeW2
_chemical_formula_sum   'Tl1 Fe1 W2'
_cell_volume   64.61
_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  0.18  0.21  1.0
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.37  0.55  1.0
  W  W3  1  0.0  0.99  0.88  1.0

Tl Fe W W