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 [Pmn2_1]
_cell_length_a [3.0940]
_cell_length_b [4.6996]
_cell_length_c [14.1163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ni3OF5]
_chemical_formula_sum '[Ni6 O2 F10]'
_cell_volume [205.2574]
_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  2  0.0000  0.7360  0.3339  1
  Ni  Ni1  2  0.0000  0.7635  0.0026  1
  Ni  Ni2  2  0.0000  0.7676  0.6632  1
  O  O3  2  0.0000  0.0498  0.1010  1
  F  F4  2  0.0000  0.0459  0.4337  1
  F  F5  2  0.0000  0.0656  0.7682  1
  F  F6  2  0.0000  0.4371  0.2317  1
  F  F7  2  0.0000  0.4489  0.5648  1
  F  F8  2  0.0000  0.4581  0.9009  1
]