data_[Th4Pa2Si4Ir14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Pa  1.5000  1.8000  1.0400
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.7765]
_cell_length_b [5.7366]
_cell_length_c [13.5600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.5885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th2PaSi2Ir7]
_chemical_formula_sum '[Th4 Pa2 Si4 Ir14]'
_cell_volume [445.4123]
_cell_formula_units_Z [2]
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  4  0.1024  0.0000  0.3502  1
  Pa  Pa1  2  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.0785  0.5000  0.2504  1
  Ir  Ir3  8  0.2016  0.2504  0.8446  1
  Ir  Ir4  4  0.1245  0.5000  0.4252  1
  Ir  Ir5  2  0.0000  0.5000  0.0000  1
]