data_[Ni6O2F10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6272]
_cell_length_b [5.6339]
_cell_length_c [7.3342]
_cell_angle_alpha [72.3362]
_cell_angle_beta [72.3304]
_cell_angle_gamma [72.3975]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ni3OF5]
_chemical_formula_sum '[Ni6 O2 F10]'
_cell_volume [205.3598]
_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
[
  Ni  Ni0  1  0.0087  0.9881  0.9996  1.0
  Ni  Ni1  1  0.3337  0.3415  0.1624  1.0
  Ni  Ni2  1  0.3381  0.3397  0.6676  1.0
  Ni  Ni3  1  0.6548  0.6632  0.8323  1.0
  Ni  Ni4  1  0.6640  0.6681  0.3401  1.0
  Ni  Ni5  1  0.9997  0.0026  0.5000  1.0
  O  O6  1  0.3045  0.6930  0.9977  1.0
  O  O7  1  0.5623  0.5677  0.6308  1.0
  F  F8  1  0.0258  0.6393  0.6704  1.0
  F  F9  1  0.1053  0.1049  0.6999  1.0
  F  F10  1  0.2328  0.2304  0.9649  1.0
  F  F11  1  0.3619  0.9752  0.3296  1.0
  F  F12  1  0.4339  0.4355  0.3683  1.0
  F  F13  1  0.6378  0.0309  0.6670  1.0
  F  F14  1  0.7039  0.2943  0.9993  1.0
  F  F15  1  0.7635  0.7622  0.0381  1.0
  F  F16  1  0.9002  0.8989  0.2984  1.0
  F  F17  1  0.9692  0.3646  0.3337  1.0
]