data_PtCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtCl
_chemical_formula_sum   'Pt4 Cl4'
_cell_volume   154.05
_cell_formula_units_Z   4
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
  Pt  Pt4  1  0.47  0.42  0.5  1.0
  Pt  Pt5  1  0.0  0.85  0.15  1.0
  Pt  Pt6  1  0.0  0.85  0.81  1.0
  Pt  Pt7  1  0.47  0.42  0.16  1.0
  Cl  Cl0  1  0.0  0.0  0.83  1.0
  Cl  Cl1  1  0.0  0.0  0.48  1.0
  Cl  Cl2  1  0.47  0.42  0.48  1.0
  Cl  Cl3  1  0.0  0.85  0.83  1.0

data_PtCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PtCl
_chemical_formula_sum   'Pt4 Cl4'
_cell_volume   154.05
_cell_formula_units_Z   4
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
  Pt  Pt0  1  0.0  0.85  0.15  1.0
  Pt  Pt1  1  0.0  0.85  0.81  1.0
  Pt  Pt2  1  0.47  0.42  0.16  1.0
  Pt  Pt3  1  0.47  0.42  0.5  1.0
  Cl  Cl4  1  0.0  0.0  0.48  1.0
  Cl  Cl5  1  0.0  0.0  0.83  1.0
  Cl  Cl6  1  0.0  0.85  0.83  1.0
  Cl  Cl7  1  0.47  0.42  0.48  1.0

Pt Pt Pt Pt Cl Cl Cl Cl