data_HfSiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33
_cell_length_b   7.24
_cell_length_c   3.07
_cell_angle_alpha   79.36
_cell_angle_beta   76.3
_cell_angle_gamma   24.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfSiCl
_chemical_formula_sum   'Hf1 Si1 Cl1'
_cell_volume   65.17
_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  Hf1  1  0.03  0.31  0.25  1.0
  Si  Si2  1  0.03  0.31  0.12  1.0
  Cl  Cl0  1  0.03  0.31  0.54  1.0

data_HfSiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.06
_cell_length_b   13.91
_cell_length_c   3.07
_cell_angle_alpha   90.0
_cell_angle_beta   131.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfSiCl
_chemical_formula_sum   'Hf2 Si2 Cl2'
_cell_volume   130.34
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.03  0.0  0.28  1.0
  Si  Si1  2  0.03  0.0  0.15  1.0
  Cl  Cl2  2  0.03  0.0  0.57  1.0

Hf Si Cl