data_[Th1Ga1Si2Ir5]
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
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0839]
_cell_length_b [4.0839]
_cell_length_c [9.9927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ThGaSi2Ir5]
_chemical_formula_sum '[Th1 Ga1 Si2 Ir5]'
_cell_volume [166.6602]
_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  1  0.0000  0.0000  0.5000  1
  Ga  Ga1  1  0.0000  0.0000  0.0000  1
  Si  Si2  2  0.5000  0.5000  0.2660  1
  Ir  Ir3  4  0.0000  0.5000  0.1529  1
  Ir  Ir4  1  0.5000  0.5000  0.5000  1
]