data_[Tc24Ir4Ru8]
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 [C2/c]
_cell_length_a [10.1013]
_cell_length_b [9.1033]
_cell_length_c [6.9622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2830]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tc6IrRu2]
_chemical_formula_sum '[Tc24 Ir4 Ru8]'
_cell_volume [528.9885]
_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
[
  Tc  Tc0  8  0.0267  0.3739  0.4473  1
  Tc  Tc1  8  0.0996  0.0803  0.1852  1
  Tc  Tc2  8  0.2237  0.1648  0.6435  1
  Ru  Ru3  8  0.1945  0.4009  0.9337  1
  Ir  Ir4  4  0.0000  0.1740  0.7500  1
]