data_[Th14In4Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.4193]
_cell_length_b [11.4116]
_cell_length_c [7.0143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Th7(InIr)2]
_chemical_formula_sum '[Th14 In4 Ir4]'
_cell_volume [673.9133]
_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  8  0.2500  0.2500  0.2639  1
  Th  Th1  4  0.0000  0.5000  0.2422  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  In  In3  4  0.1680  0.0000  0.5000  1
  Ir  Ir4  4  0.0000  0.2673  0.0000  1
]