data_[Ti2Ni2F10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Ni  1.9100  1.3500  0.7400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2214]
_cell_length_b [5.3521]
_cell_length_c [7.4017]
_cell_angle_alpha [94.6780]
_cell_angle_beta [105.3858]
_cell_angle_gamma [103.6876]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TiNiF5]
_chemical_formula_sum '[Ti2 Ni2 F10]'
_cell_volume [191.4530]
_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
[
  Ti  Ti0  2  0.4128  0.6079  0.2890  1
  Ni  Ni1  1  0.0000  0.0000  0.5000  1
  Ni  Ni2  1  0.5000  0.0000  0.0000  1
  F  F3  2  0.2098  0.7407  0.0685  1
  F  F4  2  0.2429  0.8025  0.4302  1
  F  F5  2  0.2633  0.3246  0.4546  1
  F  F6  2  0.2816  0.1118  0.7629  1
  F  F7  2  0.4640  0.3143  0.1610  1
]