data_[Ni2H8O4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1380]
_cell_length_b [7.4562]
_cell_length_c [2.9952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NiH4(OF)2]
_chemical_formula_sum '[Ni2 H8 O4 F4]'
_cell_volume [134.6134]
_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  0.0000  0.0000  1
  H  H1  8  0.1100  0.3408  0.1944  1
  O  O2  4  0.0000  0.2632  0.0000  1
  F  F3  4  0.2266  0.0000  0.5774  1
]