data_Hf2TlSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   148.58
_cell_angle_beta   133.54
_cell_angle_gamma   57.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlSe
_chemical_formula_sum   'Hf2 Tl1 Se1'
_cell_volume   87.68
_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  0.27  1.0
  Hf  Hf1  1  0.67  0.0  0.95  1.0
  Tl  Tl3  1  0.0  0.43  0.54  1.0
  Se  Se2  1  0.0  0.0  0.06  1.0

data_Hf2TlSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.86
_cell_length_c   6.16
_cell_angle_alpha   113.23
_cell_angle_beta   105.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlSe
_chemical_formula_sum   'Hf2 Tl1 Se1'
_cell_volume   87.68
_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  0.72  0.05  0.72  1.0
  Hf  Hf1  1  0.73  0.73  0.73  1.0
  Tl  Tl2  1  0.46  0.89  0.89  1.0
  Se  Se3  1  0.94  0.94  0.94  1.0

Hf Hf Tl Se