data_HfPd2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.6
_cell_angle_alpha   148.68
_cell_angle_beta   130.2
_cell_angle_gamma   60.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPd2Cl
_chemical_formula_sum   'Hf1 Pd2 Cl1'
_cell_volume   69.27
_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  0.0  0.0  0.85  1.0
  Pd  Pd2  1  0.51  0.0  0.51  1.0
  Pd  Pd3  1  0.0  0.36  0.34  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HfPd2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.72
_cell_length_c   5.6
_cell_angle_alpha   114.9
_cell_angle_beta   105.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPd2Cl
_chemical_formula_sum   'Hf1 Pd2 Cl1'
_cell_volume   69.27
_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  0.15  0.15  0.15  1.0
  Pd  Pd1  1  0.0  0.49  0.0  1.0
  Pd  Pd2  1  0.66  0.02  0.02  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Hf Pd Pd Cl