data_[Th3Ga1P2Ir9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Ga  1.8100  1.3000  0.7600
  P  2.1900  1.0000  0.5500
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.7143]
_cell_length_b [5.7143]
_cell_length_c [10.2745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Th3GaP2Ir9]
_chemical_formula_sum '[Th3 Ga1 P2 Ir9]'
_cell_volume [290.5452]
_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  0.5955  1
  Th  Th1  1  0.0000  0.0000  0.0000  1
  Ga  Ga2  1  0.0000  0.0000  0.5000  1
  P  P3  2  0.3333  0.6667  0.1604  1
  Ir  Ir4  6  0.1616  0.3233  0.3087  1
  Ir  Ir5  3  0.0000  0.5000  0.0000  1
]