data_IrPt2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPt2Cl
_chemical_formula_sum   'Ir1 Pt2 Cl1'
_cell_volume   66.06
_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
  Ir  Ir1  1  0.47  0.47  0.87  1.0
  Pt  Pt2  1  0.0  0.0  0.55  1.0
  Pt  Pt3  1  0.47  0.47  0.69  1.0
  Cl  Cl0  1  0.0  0.0  0.02  1.0

data_IrPt2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   7.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   IrPt2Cl
_chemical_formula_sum   'Ir2 Pt4 Cl2'
_cell_volume   132.13
_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
  Ir  Ir0  2  0.47  0.0  0.87  1.0
  Pt  Pt1  2  0.0  0.0  0.55  1.0
  Pt  Pt2  2  0.47  0.0  0.69  1.0
  Cl  Cl3  2  0.0  0.0  0.02  1.0

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