data_HfTeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   3.72
_cell_length_c   6.35
_cell_angle_alpha   90.0
_cell_angle_beta   115.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTeCl2
_chemical_formula_sum   'Hf1 Te1 Cl2'
_cell_volume   119.2
_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  0.79  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.06  0.86  0.02  1.0
  Cl  Cl1  1  0.8  0.86  0.72  1.0

data_HfTeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   5.59
_cell_length_c   6.35
_cell_angle_alpha   115.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTeCl2
_chemical_formula_sum   'Hf1 Te1 Cl2'
_cell_volume   119.2
_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  0.21  0.0  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.14  0.2  0.28  1.0
  Cl  Cl3  1  0.14  0.94  0.98  1.0

Hf Te Cl Cl