data_[Ni6O1F11]
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 [Pm]
_cell_length_a [4.7158]
_cell_length_b [3.1027]
_cell_length_c [14.0809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ni6OF11]
_chemical_formula_sum '[Ni6 O1 F11]'
_cell_volume [206.0203]
_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
[
  Ni  Ni0  1  0.0021  0.0000  0.6666  1.0
  Ni  Ni1  1  0.0137  0.0000  0.0039  1.0
  Ni  Ni2  1  0.4890  0.5000  0.1644  1.0
  Ni  Ni3  1  0.4968  0.5000  0.4995  1.0
  Ni  Ni4  1  0.5067  0.5000  0.8336  1.0
  Ni  Ni5  1  0.9927  0.0000  0.3325  1.0
  O  O6  1  0.1976  0.5000  0.0665  1.0
  F  F7  1  0.1856  0.5000  0.3997  1.0
  F  F8  1  0.1987  0.5000  0.7326  1.0
  F  F9  1  0.3030  0.0000  0.2341  1.0
  F  F10  1  0.3057  0.0000  0.5660  1.0
  F  F11  1  0.3100  0.0000  0.8992  1.0
  F  F12  1  0.6873  0.0000  0.4324  1.0
  F  F13  1  0.6967  0.0000  0.1016  1.0
  F  F14  1  0.6994  0.0000  0.7673  1.0
  F  F15  1  0.7998  0.5000  0.2648  1.0
  F  F16  1  0.8063  0.5000  0.5999  1.0
  F  F17  1  0.8090  0.5000  0.9355  1.0
]