data_HfCrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   4.34
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   94.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrCl2
_chemical_formula_sum   'Hf1 Cr1 Cl2'
_cell_volume   77.19
_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  0.44  0.0  0.68  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.81  0.17  0.36  1.0
  Cl  Cl1  1  0.07  0.17  0.01  1.0

data_HfCrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   4.34
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   94.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCrCl2
_chemical_formula_sum   'Hf1 Cr1 Cl2'
_cell_volume   77.19
_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  0.44  0.0  0.68  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.07  0.17  0.01  1.0
  Cl  Cl3  1  0.81  0.17  0.36  1.0

Hf Cr Cl Cl
Hf Cr Cl Cl 0 2 - o o 0 2 o o o 0 3 o o + 0 3 + o + 0 1 o o + 0 1 + o + 1 3 o o o 1 2 - o o 2 3 + o o 