data_Hf2TlTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.13
_cell_angle_alpha   110.16
_cell_angle_beta   110.16
_cell_angle_gamma   35.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlTe
_chemical_formula_sum   'Hf2 Tl1 Te1'
_cell_volume   92.86
_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  0.91  0.0  0.15  1.0
  Hf  Hf1  1  0.43  0.0  0.35  1.0
  Tl  Tl3  1  0.91  0.0  0.97  1.0
  Te  Te2  1  0.69  0.0  0.69  1.0

data_Hf2TlTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   5.13
_cell_length_c   5.81
_cell_angle_alpha   110.16
_cell_angle_beta   107.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TlTe
_chemical_formula_sum   'Hf2 Tl1 Te1'
_cell_volume   92.86
_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  0.15  0.91  1.0
  Hf  Hf1  1  0.0  0.35  0.43  1.0
  Tl  Tl2  1  0.0  0.97  0.91  1.0
  Te  Te3  1  0.0  0.69  0.69  1.0

Hf Hf Tl Te
Hf Hf Tl Te 0 2 o o - 1 3 o o o 2 3 o o o 