data_HfCr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   5.09
_cell_angle_alpha   111.8
_cell_angle_beta   111.8
_cell_angle_gamma   36.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Cl
_chemical_formula_sum   'Hf1 Cr2 Cl1'
_cell_volume   63.75
_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  0.73  0.0  0.66  1.0
  Cr  Cr1  1  0.99  0.0  0.28  1.0
  Cr  Cr2  1  0.91  0.0  0.93  1.0
  Cl  Cl0  1  0.27  0.0  0.15  1.0

data_HfCr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.81
_cell_length_c   5.09
_cell_angle_alpha   111.8
_cell_angle_beta   90.0
_cell_angle_gamma   108.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCr2Cl
_chemical_formula_sum   'Hf1 Cr2 Cl1'
_cell_volume   63.75
_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  0.27  0.34  1.0
  Cr  Cr1  1  0.0  0.01  0.72  1.0
  Cr  Cr2  1  0.0  0.09  0.07  1.0
  Cl  Cl3  1  0.0  0.73  0.85  1.0

Hf Cr Cr Cl