data_Hf2TlCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   137.45
_cell_angle_beta   137.45
_cell_angle_gamma   61.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlCl
_chemical_formula_sum   'Hf2 Tl1 Cl1'
_cell_volume   88.29
_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  Hf1  1  0.11  0.0  0.49  1.0
  Hf  Hf2  1  0.0  0.0  0.98  1.0
  Tl  Tl3  1  0.0  0.11  0.49  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Hf2TlCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.8
_cell_angle_alpha   111.28
_cell_angle_beta   111.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlCl
_chemical_formula_sum   'Hf2 Tl1 Cl1'
_cell_volume   88.29
_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  0.49  0.38  0.38  1.0
  Hf  Hf1  1  0.98  0.98  0.98  1.0
  Tl  Tl2  1  0.38  0.49  0.38  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf Hf Tl Cl