data_HfAs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   146.05
_cell_angle_beta   135.2
_cell_angle_gamma   57.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAs2Cl
_chemical_formula_sum   'Hf1 As2 Cl1'
_cell_volume   76.73
_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  Hf3  1  0.0  0.0  0.1  1.0
  As  As0  1  0.0  0.22  0.35  1.0
  As  As1  1  0.7  0.0  0.75  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_HfAs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.43
_cell_length_c   5.81
_cell_angle_alpha   112.4
_cell_angle_beta   106.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfAs2Cl
_chemical_formula_sum   'Hf1 As2 Cl1'
_cell_volume   76.73
_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  0.1  0.1  1.0
  As  As1  1  0.0  0.75  0.05  1.0
  As  As2  1  0.78  0.14  0.14  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf As As Cl