data_IrPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   158.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPt2
_chemical_formula_sum   'Ir2 Pt4'
_cell_volume   92.15
_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
  Ir  Ir0  1  0.38  0.22  0.16  1.0
  Ir  Ir1  1  0.38  0.78  0.48  1.0
  Pt  Pt2  1  0.38  0.36  0.16  1.0
  Pt  Pt3  1  0.38  0.63  0.16  1.0
  Pt  Pt4  1  0.38  0.37  0.48  1.0
  Pt  Pt5  1  0.38  0.64  0.48  1.0

data_IrPt2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.76
_cell_length_b   4.64
_cell_length_c   7.32
_cell_angle_alpha   90.0
_cell_angle_beta   100.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   IrPt2
_chemical_formula_sum   'Ir2 Pt4'
_cell_volume   92.15
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.22  0.66  0.72  1.0
  Pt  Pt1  2  0.36  0.66  0.86  1.0
  Pt  Pt2  2  0.37  0.34  0.87  1.0

Ir Ir Pt Pt Pt Pt
Ir Ir Pt Pt Pt Pt 0 2 o o o 1 5 o o o 2 4 o o o 3 5 o o o 