data_[Fe6As6Cl2O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
  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 [5.5458]
_cell_length_b [8.5179]
_cell_length_c [9.5160]
_cell_angle_alpha [72.4001]
_cell_angle_beta [89.9085]
_cell_angle_gamma [78.0400]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Fe3As3ClO8]
_chemical_formula_sum '[Fe6 As6 Cl2 O16]'
_cell_volume [418.2756]
_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
[
  Fe  Fe0  2  0.3017  0.6543  0.8767  1
  Fe  Fe1  2  0.4121  0.2771  0.8707  1
  Fe  Fe2  1  0.0000  0.0000  0.0000  1
  Fe  Fe3  1  0.5000  0.5000  0.5000  1
  As  As4  2  0.1038  0.2393  0.6432  1
  As  As5  2  0.1640  0.4471  0.2372  1
  As  As6  2  0.2901  0.0726  0.2203  1
  Cl  Cl7  2  0.3228  0.7404  0.6042  1
  O  O8  2  0.0145  0.8392  0.8742  1
  O  O9  2  0.1265  0.4707  0.8684  1
  O  O10  2  0.1553  0.5772  0.3628  1
  O  O11  2  0.1617  0.1486  0.8408  1
  O  O12  2  0.3121  0.9107  0.1291  1
  O  O13  2  0.3560  0.3398  0.6498  1
  O  O14  2  0.3722  0.5552  0.1112  1
  O  O15  2  0.4538  0.2110  0.0917  1
]