data_[Tc3Ir24Ru18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Ir  2.2000  1.3500  0.7650
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [7.1717]
_cell_length_b [7.1717]
_cell_length_c [15.6087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Tc(Ir4Ru3)2]
_chemical_formula_sum '[Tc3 Ir24 Ru18]'
_cell_volume [695.2562]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Ir  Ir1  18  0.0182  0.7070  0.1357  1
  Ru  Ru2  18  0.0230  0.7462  0.6380  1
  Ir  Ir3  6  0.0000  0.0000  0.2422  1
]