data_[Ta4Au8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3019]
_cell_length_b [15.6815]
_cell_length_c [6.5213]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta(AuI3)2]
_chemical_formula_sum '[Ta4 Au8 I24]'
_cell_volume [1580.3722]
_cell_formula_units_Z [4]
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
[
  Ta  Ta0  4  0.0000  0.0000  0.7500  1
  Au  Au1  8  0.1015  0.4999  0.8294  1
  I  I2  8  0.0614  0.1442  0.5488  1
  I  I3  8  0.1118  0.3698  0.0880  1
  I  I4  8  0.1463  0.0604  0.1166  1
]