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 [P2/m]
_cell_length_a [4.7069]
_cell_length_b [3.0951]
_cell_length_c [14.1434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ni3OF5]
_chemical_formula_sum '[Ni6 O2 F10]'
_cell_volume [206.0220]
_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  0.0076  0.0000  0.6682  1.0
  Ni  Ni1  2  0.4888  0.5000  0.8297  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  Ni  Ni3  1  0.5000  0.5000  0.5000  1.0
  O  O4  2  0.3005  0.0000  0.7670  1.0
  F  F5  2  0.1939  0.5000  0.5988  1.0
  F  F6  2  0.1986  0.5000  0.9353  1.0
  F  F7  2  0.1999  0.5000  0.2695  1.0
  F  F8  2  0.3008  0.0000  0.1034  1.0
  F  F9  2  0.3048  0.0000  0.4326  1.0
]