data_Pt3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   5.33
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt3Cl
_chemical_formula_sum   'Pt6 Cl2'
_cell_volume   168.7
_cell_formula_units_Z   2
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  Pt2  1  0.27  0.0  0.95  1.0
  Pt  Pt3  1  0.0  0.67  1.0  1.0
  Pt  Pt4  1  0.0  0.97  0.26  1.0
  Pt  Pt5  1  0.0  0.36  0.26  1.0
  Pt  Pt6  1  0.27  0.3  0.69  1.0
  Pt  Pt7  1  0.27  0.03  0.69  1.0
  Cl  Cl0  1  0.0  0.0  0.23  1.0
  Cl  Cl1  1  0.27  0.67  0.72  1.0

data_Pt3Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.55
_cell_length_b   5.33
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pt3Cl
_chemical_formula_sum   'Pt6 Cl2'
_cell_volume   168.7
_cell_formula_units_Z   2
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  0.36  0.26  1.0
  Pt  Pt1  1  0.0  0.67  1.0  1.0
  Pt  Pt2  1  0.0  0.97  0.26  1.0
  Pt  Pt3  1  0.27  0.0  0.95  1.0
  Pt  Pt4  1  0.27  0.03  0.69  1.0
  Pt  Pt5  1  0.27  0.3  0.69  1.0
  Cl  Cl6  1  0.0  0.0  0.23  1.0
  Cl  Cl7  1  0.27  0.67  0.72  1.0

Pt Pt Pt Pt Pt Pt Cl Cl
Pt Pt Pt Pt Pt Pt Cl Cl 0 1 o - o 0 6 o o + 0 7 o - o 0 5 o o o 1 3 o o + 1 7 o o o 1 6 o + + 1 2 o o + 2 6 o + o 2 3 o + o 3 6 o o o 4 5 o o o 4 7 o o o 5 7 o - o 