data_[Tc18Pt6Rh36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.8870]
_cell_length_b [10.8870]
_cell_length_c [8.6424]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tc3PtRh6]
_chemical_formula_sum '[Tc18 Pt6 Rh36]'
_cell_volume [887.1242]
_cell_formula_units_Z [6]
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
[
  Tc  Tc0  18  0.0630  0.1726  0.7465  1
  Rh  Rh1  18  0.0107  0.2516  0.0203  1
  Rh  Rh2  18  0.0597  0.4905  0.1234  1
  Pt  Pt3  3  0.0000  0.0000  0.0000  1
  Pt  Pt4  3  0.0000  0.0000  0.5000  1
]