data_RuPt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   RuPt2Cl
_chemical_formula_sum   'Ru1 Pt2 Cl1'
_cell_volume   64.72
_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
  Ru  Ru3  1  0.0  0.0  0.92  1.0
  Pt  Pt1  1  0.44  0.44  0.13  1.0
  Pt  Pt2  1  0.44  0.44  0.7  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_RuPt2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   RuPt2Cl
_chemical_formula_sum   'Ru2 Pt4 Cl2'
_cell_volume   129.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ru  Ru0  2  0.0  0.0  0.92  1.0
  Pt  Pt1  2  0.44  0.0  0.13  1.0
  Pt  Pt2  2  0.44  0.0  0.7  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

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