data_Hf2ZnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   4.86
_cell_angle_alpha   112.06
_cell_angle_beta   112.06
_cell_angle_gamma   35.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZnTe
_chemical_formula_sum   'Hf2 Zn1 Te1'
_cell_volume   82.97
_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  0.92  0.0  0.26  1.0
  Hf  Hf1  1  0.3  0.0  0.11  1.0
  Zn  Zn3  1  0.68  0.0  0.83  1.0
  Te  Te2  1  0.32  0.0  0.5  1.0

data_Hf2ZnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   4.86
_cell_length_c   5.64
_cell_angle_alpha   112.06
_cell_angle_beta   107.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZnTe
_chemical_formula_sum   'Hf2 Zn1 Te1'
_cell_volume   82.97
_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  0.11  0.3  1.0
  Hf  Hf1  1  0.0  0.26  0.92  1.0
  Zn  Zn2  1  0.0  0.83  0.68  1.0
  Te  Te3  1  0.0  0.5  0.32  1.0

Hf Hf Zn Te
Hf Hf Zn Te 0 2 o o - 0 3 + o o 1 3 o o o 2 3 o o o 