data_Ir2PtCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   2.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2PtCl
_chemical_formula_sum   'Ir2 Pt1 Cl1'
_cell_volume   61.88
_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  0.49  0.88  0.39  1.0
  Ir  Ir2  1  0.49  0.12  0.39  1.0
  Pt  Pt3  1  0.97  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Ir2PtCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   103.34
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ir2PtCl
_chemical_formula_sum   'Ir2 Pt1 Cl1'
_cell_volume   61.88
_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  Ir0  1  0.39  0.49  0.12  1.0
  Ir  Ir1  1  0.39  0.49  0.88  1.0
  Pt  Pt2  1  0.0  0.97  0.0  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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