data_[Nb2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1404]
_cell_length_b [5.3689]
_cell_length_c [5.7670]
_cell_angle_alpha [65.1487]
_cell_angle_beta [66.9443]
_cell_angle_gamma [79.7365]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NbF4]
_chemical_formula_sum '[Nb2 F8]'
_cell_volume [132.8653]
_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
[
  Nb  Nb0  1  0.1071  0.5110  0.8633  1.0
  Nb  Nb1  1  0.5360  0.9343  0.0778  1.0
  F  F2  1  0.0379  0.4941  0.5714  1.0
  F  F3  1  0.2178  0.1970  0.1983  1.0
  F  F4  1  0.3005  0.7140  0.0089  1.0
  F  F5  1  0.4061  0.7859  0.5093  1.0
  F  F6  1  0.4497  0.2446  0.7447  1.0
  F  F7  1  0.7759  0.5763  0.1967  1.0
  F  F8  1  0.8146  0.1724  0.0690  1.0
  F  F9  1  0.8597  0.8855  0.7480  1.0
]