data_NaHfCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.88
_cell_length_b   7.55
_cell_length_c   3.24
_cell_angle_alpha   83.68
_cell_angle_beta   72.18
_cell_angle_gamma   24.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaHfCl
_chemical_formula_sum   'Na1 Hf1 Cl1'
_cell_volume   67.65
_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
  Na  Na2  1  0.64  0.8  0.07  1.0
  Hf  Hf1  1  0.64  0.8  0.57  1.0
  Cl  Cl0  1  0.64  0.8  0.1  1.0

data_NaHfCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.28
_cell_length_b   14.74
_cell_length_c   3.24
_cell_angle_alpha   90.0
_cell_angle_beta   120.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaHfCl
_chemical_formula_sum   'Na2 Hf2 Cl2'
_cell_volume   135.29
_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
  Na  Na0  2  0.07  0.0  0.71  1.0
  Hf  Hf1  2  0.07  0.5  0.21  1.0
  Cl  Cl2  2  0.1  0.0  0.74  1.0

Na Hf Cl