data_[Th3P2Ir1Rh9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.6710]
_cell_length_b [5.6710]
_cell_length_c [10.2844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Th3P2IrRh9]
_chemical_formula_sum '[Th3 P2 Ir1 Rh9]'
_cell_volume [286.4386]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.5985  1
  Th  Th1  1  0.0000  0.0000  0.0000  1
  P  P2  2  0.3333  0.6667  0.1550  1
  Ir  Ir3  1  0.0000  0.0000  0.5000  1
  Rh  Rh4  6  0.1606  0.3211  0.2974  1
  Rh  Rh5  3  0.0000  0.5000  0.0000  1
]