data_[Ba2Fe10Ni1Sn2O22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.9432]
_cell_length_b [5.9432]
_cell_length_c [14.2833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba2Fe10Ni(SnO11)2]
_chemical_formula_sum '[Ba2 Fe10 Ni1 Sn2 O22]'
_cell_volume [436.9168]
_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  2  0.3333  0.6667  0.4241  1
  Fe  Fe1  6  0.1692  0.3384  0.1716  1
  Fe  Fe2  2  0.0000  0.0000  0.3787  1
  Fe  Fe3  2  0.3333  0.6667  0.9528  1
  Ni  Ni4  1  0.0000  0.0000  0.0000  1
  Sn  Sn5  2  0.3333  0.6667  0.6790  1
  O  O6  6  0.0140  0.5070  0.2458  1
  O  O7  6  0.1576  0.3152  0.9124  1
  O  O8  6  0.1747  0.3494  0.5884  1
  O  O9  2  0.0000  0.0000  0.2419  1
  O  O10  2  0.3333  0.6667  0.0897  1
]