data_[Fe6Ir2Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6799]
_cell_length_b [3.8785]
_cell_length_c [8.6973]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3042]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Fe3IrPt6]
_chemical_formula_sum '[Fe6 Ir2 Pt12]'
_cell_volume [292.7870]
_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
[
  Fe  Fe0  2  0.2540  0.2500  0.9987  1
  Fe  Fe1  2  0.3538  0.7500  0.7998  1
  Fe  Fe2  2  0.4509  0.2500  0.6025  1
  Ir  Ir3  2  0.0463  0.2500  0.4037  1
  Pt  Pt4  2  0.0586  0.7500  0.8996  1
  Pt  Pt5  2  0.1530  0.7500  0.1968  1
  Pt  Pt6  2  0.1624  0.2500  0.7044  1
  Pt  Pt7  2  0.2605  0.7500  0.5048  1
  Pt  Pt8  2  0.3605  0.2500  0.3039  1
  Pt  Pt9  2  0.4551  0.7500  0.1001  1
]