data_IrPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPt3
_chemical_formula_sum   'Ir4 Pt12'
_cell_volume   246.55
_cell_formula_units_Z   4
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  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.6  1.0
  Ir  Ir2  1  0.0  0.21  0.3  1.0
  Ir  Ir3  1  0.78  0.61  0.89  1.0
  Pt  Pt4  1  0.61  0.41  0.0  1.0
  Pt  Pt5  1  0.61  0.41  0.6  1.0
  Pt  Pt6  1  0.0  0.58  0.89  1.0
  Pt  Pt7  1  0.59  0.03  0.89  1.0
  Pt  Pt8  1  0.37  0.79  0.3  1.0
  Pt  Pt9  1  0.78  0.0  0.0  1.0
  Pt  Pt10  1  0.78  0.0  0.6  1.0
  Pt  Pt11  1  0.39  0.41  0.0  1.0
  Pt  Pt12  1  0.39  0.41  0.6  1.0
  Pt  Pt13  1  0.41  0.03  0.89  1.0
  Pt  Pt14  1  0.19  0.79  0.3  1.0
  Pt  Pt15  1  0.78  0.24  0.3  1.0

data_IrPt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPt3
_chemical_formula_sum   'Ir4 Pt12'
_cell_volume   246.55
_cell_formula_units_Z   4
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  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.0  0.6  1.0
  Ir  Ir2  1  0.0  0.21  0.3  1.0
  Ir  Ir3  1  0.78  0.61  0.89  1.0
  Pt  Pt4  1  0.0  0.58  0.89  1.0
  Pt  Pt5  1  0.19  0.79  0.3  1.0
  Pt  Pt6  1  0.37  0.79  0.3  1.0
  Pt  Pt7  1  0.39  0.41  0.0  1.0
  Pt  Pt8  1  0.39  0.41  0.6  1.0
  Pt  Pt9  1  0.41  0.03  0.89  1.0
  Pt  Pt10  1  0.59  0.03  0.89  1.0
  Pt  Pt11  1  0.61  0.41  0.0  1.0
  Pt  Pt12  1  0.61  0.41  0.6  1.0
  Pt  Pt13  1  0.78  0.0  0.0  1.0
  Pt  Pt14  1  0.78  0.0  0.6  1.0
  Pt  Pt15  1  0.78  0.24  0.3  1.0

Ir Ir Ir Ir Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt
Ir Ir Ir Ir Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt 0 9 - o o 1 10 - o o 2 15 - o o 3 4 o o + 3 6 + o o 4 11 o o o 5 12 o o o 7 13 o o o 8 14 o o o 