data_HfTlIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.41
_cell_angle_alpha   101.92
_cell_angle_beta   101.92
_cell_angle_gamma   32.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTlIn2
_chemical_formula_sum   'Hf1 Tl1 In2'
_cell_volume   96.54
_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  0.0  1.0
  Tl  Tl3  1  0.99  0.0  0.64  1.0
  In  In1  1  0.98  0.0  0.22  1.0
  In  In2  1  1.0  0.0  0.06  1.0

data_HfTlIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   11.15
_cell_length_b   3.28
_cell_length_c   5.41
_cell_angle_alpha   90.0
_cell_angle_beta   102.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTlIn2
_chemical_formula_sum   'Hf2 Tl2 In4'
_cell_volume   193.07
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.5  0.5  0.64  1.0
  In  In2  2  0.49  0.5  0.22  1.0
  In  In3  2  0.5  0.5  0.06  1.0

Hf Tl In In