data_Hf2PtCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05
_cell_length_b   4.05
_cell_length_c   6.7
_cell_angle_alpha   106.49
_cell_angle_beta   106.49
_cell_angle_gamma   59.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PtCl
_chemical_formula_sum   'Hf2 Pt1 Cl1'
_cell_volume   89.23
_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  0.77  0.0  0.94  1.0
  Hf  Hf2  1  0.09  0.0  0.39  1.0
  Pt  Pt3  1  0.43  0.0  0.16  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Hf2PtCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.05
_cell_length_c   6.7
_cell_angle_alpha   106.49
_cell_angle_beta   90.0
_cell_angle_gamma   119.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2PtCl
_chemical_formula_sum   'Hf2 Pt1 Cl1'
_cell_volume   89.23
_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  0.23  0.06  1.0
  Hf  Hf1  1  0.0  0.91  0.61  1.0
  Pt  Pt2  1  0.0  0.57  0.84  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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