data_[Ir12Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [5.5046]
_cell_length_b [5.5046]
_cell_length_c [9.0501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Ir3Pt]
_chemical_formula_sum '[Ir12 Pt4]'
_cell_volume [237.4809]
_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  6  0.0000  0.5000  0.0000  1
  Ir  Ir1  6  0.1673  0.3346  0.7500  1
  Pt  Pt2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  2  0.3333  0.6667  0.2500  1
]