data_[Ba2As6O11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3501]
_cell_length_b [7.2485]
_cell_length_c [9.4150]
_cell_angle_alpha [70.9212]
_cell_angle_beta [86.6771]
_cell_angle_gamma [83.5702]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba2As6O11]
_chemical_formula_sum '[Ba2 As6 O11]'
_cell_volume [342.8063]
_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
[
  Ba  Ba0  1  0.2210  0.3163  0.4199  1.0
  Ba  Ba1  1  0.7499  0.7024  0.5653  1.0
  As  As2  1  0.2320  0.4121  0.9097  1.0
  As  As3  1  0.2515  0.8876  0.8276  1.0
  As  As4  1  0.2542  0.8599  0.2735  1.0
  As  As5  1  0.7230  0.1460  0.7416  1.0
  As  As6  1  0.7330  0.1256  0.1853  1.0
  As  As7  1  0.7970  0.5965  0.1108  1.0
  O  O8  1  0.1117  0.4739  0.0806  1.0
  O  O9  1  0.2750  0.6800  0.4470  1.0
  O  O10  1  0.3527  0.6566  0.7986  1.0
  O  O11  1  0.4682  0.0197  0.6822  1.0
  O  O12  1  0.4892  0.0173  0.3202  1.0
  O  O13  1  0.6635  0.3579  0.2222  1.0
  O  O14  1  0.7341  0.3251  0.5690  1.0
  O  O15  1  0.8770  0.6588  0.2633  1.0
  O  O16  1  0.9684  0.4243  0.8111  1.0
  O  O17  1  0.9830  0.9635  0.7020  1.0
  O  O18  1  0.9885  0.0287  0.3212  1.0
]