data_HfTlW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   143.04
_cell_angle_beta   129.25
_cell_angle_gamma   64.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlW2
_chemical_formula_sum   'Hf1 Tl1 W2'
_cell_volume   76.36
_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
  Hf  Hf0  1  0.0  0.0  0.55  1.0
  Tl  Tl1  1  0.0  0.36  0.43  1.0
  W  W2  1  0.0  0.0  0.19  1.0
  W  W3  1  0.74  0.0  0.13  1.0

data_HfTlW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.71
_cell_length_c   5.5
_cell_angle_alpha   115.38
_cell_angle_beta   108.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlW2
_chemical_formula_sum   'Hf1 Tl1 W2'
_cell_volume   76.36
_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
  Hf  Hf0  1  0.0  0.55  0.55  1.0
  Tl  Tl1  1  0.64  0.07  0.07  1.0
  W  W2  1  0.0  0.13  0.39  1.0
  W  W3  1  0.0  0.19  0.19  1.0

Hf Tl W W