data_HfBi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   38.6
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBi2Te
_chemical_formula_sum   'Hf1 Bi2 Te1'
_cell_volume   111.59
_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  Hf2  1  0.56  0.0  0.04  1.0
  Bi  Bi0  1  0.56  0.0  0.16  1.0
  Bi  Bi1  1  0.0  0.0  0.51  1.0
  Te  Te3  1  0.0  0.0  0.45  1.0

data_HfBi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   5.12
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   109.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfBi2Te
_chemical_formula_sum   'Hf1 Bi2 Te1'
_cell_volume   111.59
_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  0.96  0.56  0.96  1.0
  Bi  Bi1  1  0.49  0.0  0.49  1.0
  Bi  Bi2  1  0.84  0.56  0.84  1.0
  Te  Te3  1  0.55  0.0  0.55  1.0

Hf Bi Bi Te