data_HfNi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   4.4
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   33.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Cl
_chemical_formula_sum   'Hf1 Ni2 Cl1'
_cell_volume   58.09
_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  0.02  0.0  0.99  1.0
  Ni  Ni2  1  0.92  0.0  0.98  1.0
  Ni  Ni3  1  0.13  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HfNi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.4
_cell_length_c   5.17
_cell_angle_alpha   114.07
_cell_angle_beta   106.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Cl
_chemical_formula_sum   'Hf1 Ni2 Cl1'
_cell_volume   58.09
_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  0.99  0.02  1.0
  Ni  Ni1  1  0.0  0.0  0.13  1.0
  Ni  Ni2  1  0.0  0.98  0.92  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf Ni Ni Cl
Hf Ni Ni Cl 0 3 o o + 0 2 o o + 1 3 + o + 