data_[Ta12Br24Cl2O30]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.6601]
_cell_length_b [9.8850]
_cell_length_c [20.5036]
_cell_angle_alpha [80.9678]
_cell_angle_beta [79.9309]
_cell_angle_gamma [78.3424]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ta6Br12ClO15]
_chemical_formula_sum '[Ta12 Br24 Cl2 O30]'
_cell_volume [1872.8789]
_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
[
  Ta  Ta0  2  0.2744  0.8782  0.5987  1
  Ta  Ta1  2  0.2978  0.1994  0.9194  1
  Ta  Ta2  2  0.3108  0.0777  0.1270  1
  Ta  Ta3  2  0.3217  0.2884  0.5124  1
  Ta  Ta4  2  0.3306  0.7723  0.9977  1
  Ta  Ta5  2  0.3452  0.9808  0.3880  1
  Br  Br6  2  0.1566  0.1393  0.5972  1
  Br  Br7  2  0.1667  0.2377  0.0390  1
  Br  Br8  2  0.1799  0.8658  0.4875  1
  Br  Br9  2  0.1806  0.9785  0.9281  1
  Br  Br10  2  0.1986  0.8672  0.1091  1
  Br  Br11  2  0.2142  0.2279  0.4144  1
  Br  Br12  2  0.4438  0.9033  0.6821  1
  Br  Br13  2  0.4542  0.6499  0.5722  1
  Br  Br14  2  0.4681  0.3695  0.9328  1
  Br  Br15  2  0.4740  0.2597  0.6117  1
  Br  Br16  2  0.4867  0.2560  0.1133  1
  Br  Br17  2  0.4906  0.1118  0.8203  1
  Cl  Cl18  2  0.0906  0.4580  0.6726  1
  O  O19  2  0.0778  0.1106  0.7671  1
  O  O20  2  0.0858  0.9819  0.7756  1
  O  O21  2  0.1013  0.5015  0.1329  1
  O  O22  2  0.1205  0.5928  0.3649  1
  O  O23  2  0.1362  0.4637  0.1890  1
  O  O24  2  0.1426  0.8101  0.6532  1
  O  O25  2  0.1797  0.3107  0.8735  1
  O  O26  2  0.1973  0.6408  0.8269  1
  O  O27  2  0.2046  0.1298  0.1981  1
  O  O28  2  0.2058  0.6436  0.3143  1
  O  O29  2  0.2329  0.6467  0.9941  1
  O  O30  2  0.2339  0.4569  0.5142  1
  O  O31  2  0.2580  0.9599  0.3251  1
  O  O32  2  0.2873  0.5683  0.7905  1
  O  O33  2  0.3014  0.5524  0.2815  1
]