data_HfTl2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   138.89
_cell_angle_beta   138.89
_cell_angle_gamma   59.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTl2Sn
_chemical_formula_sum   'Hf1 Tl2 Sn1'
_cell_volume   100.45
_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  0.35  1.0
  Tl  Tl2  1  0.17  0.0  0.68  1.0
  Tl  Tl3  1  0.0  0.17  0.68  1.0
  Sn  Sn1  1  0.0  0.0  0.0  1.0

data_HfTl2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   119.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTl2Sn
_chemical_formula_sum   'Hf2 Tl4 Sn2'
_cell_volume   200.91
_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  0.35  0.0  0.35  1.0
  Tl  Tl1  4  0.09  0.42  0.51  1.0
  Sn  Sn2  2  0.0  0.0  0.0  1.0

Hf Tl Tl Sn