data_[Pt8Rh16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [3.8880]
_cell_length_b [3.8880]
_cell_length_c [23.3835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [PtRh2]
_chemical_formula_sum '[Pt8 Rh16]'
_cell_volume [353.4857]
_cell_formula_units_Z [8]
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
[
  Pt  Pt0  8  0.0000  0.0000  0.0825  1.0
  Rh  Rh1  8  0.0000  0.0000  0.2497  1.0
  Rh  Rh2  8  0.0000  0.0000  0.4175  1.0
]