data_[Th24Tc3Te12Ir9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Tc  1.9000  1.3500  0.7417
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4026]
_cell_length_b [8.4026]
_cell_length_c [23.0870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Th8TcTe4Ir3]
_chemical_formula_sum '[Th24 Tc3 Te12 Ir9]'
_cell_volume [1411.6302]
_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
[
  Th  Th0  18  0.0045  0.5022  0.7337  1
  Th  Th1  6  0.0000  0.0000  0.2665  1
  Tc  Tc2  3  -0.0000  -0.0000  0.0000  1
  Te  Te3  9  0.0000  0.5000  0.5000  1
  Te  Te4  3  -0.0000  -0.0000  0.5000  1
  Ir  Ir5  9  0.0000  0.5000  0.0000  1
]