data_HfNi2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   3.14
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   101.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Cl
_chemical_formula_sum   'Hf1 Ni2 Cl1'
_cell_volume   63.87
_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  0.81  0.57  0.31  1.0
  Ni  Ni2  1  0.85  0.0  0.31  1.0
  Ni  Ni3  1  0.43  0.57  0.24  1.0
  Cl  Cl0  1  0.33  0.0  0.13  1.0

data_HfNi2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   3.18
_cell_length_c   6.54
_cell_angle_alpha   101.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNi2Cl
_chemical_formula_sum   'Hf1 Ni2 Cl1'
_cell_volume   63.87
_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  0.43  0.19  0.69  1.0
  Ni  Ni1  1  0.0  0.15  0.69  1.0
  Ni  Ni2  1  0.43  0.57  0.76  1.0
  Cl  Cl3  1  0.0  0.67  0.87  1.0

Hf Ni Ni Cl