data_IrPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   146.23
_cell_angle_beta   131.81
_cell_angle_gamma   60.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPt2
_chemical_formula_sum   'Ir1 Pt2'
_cell_volume   45.86
_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  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.79  1.0
  Pt  Pt2  1  0.0  0.0  0.54  1.0

data_IrPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.93
_cell_length_c   4.82
_cell_angle_alpha   114.1
_cell_angle_beta   106.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrPt2
_chemical_formula_sum   'Ir1 Pt2'
_cell_volume   45.86
_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  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.21  0.21  0.21  1.0
  Pt  Pt2  1  0.46  0.46  0.46  1.0

Ir Pt Pt