data_HfPt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   151.05
_cell_angle_beta   133.11
_cell_angle_gamma   56.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPt2Cl
_chemical_formula_sum   'Hf1 Pt2 Cl1'
_cell_volume   70.69
_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  0.17  1.0
  Pt  Pt2  1  0.0  0.33  0.39  1.0
  Pt  Pt3  1  0.46  0.0  0.78  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_HfPt2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.66
_cell_length_c   5.86
_cell_angle_alpha   113.45
_cell_angle_beta   104.48
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfPt2Cl
_chemical_formula_sum   'Hf1 Pt2 Cl1'
_cell_volume   70.69
_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  0.83  0.83  0.83  1.0
  Pt  Pt1  1  0.61  0.94  0.94  1.0
  Pt  Pt2  1  0.68  0.22  0.68  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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