data_[Zr2N6O6F14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.7677]
_cell_length_b [7.2444]
_cell_length_c [8.5284]
_cell_angle_alpha [109.6730]
_cell_angle_beta [92.1994]
_cell_angle_gamma [102.5297]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZrN3O3F7]
_chemical_formula_sum '[Zr2 N6 O6 F14]'
_cell_volume [381.5122]
_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
[
  Zr  Zr0  2  0.3810  0.2796  0.3113  1
  N  N1  2  0.0510  0.7395  0.9515  1
  N  N2  2  0.1421  0.7338  0.4670  1
  N  N3  2  0.4292  0.2362  0.8194  1
  O  O4  2  0.1572  0.6405  0.9489  1
  O  O5  2  0.1608  0.7968  0.3655  1
  O  O6  2  0.2689  0.2229  0.7737  1
  F  F7  2  0.1063  0.3819  0.2953  1
  F  F8  2  0.1734  0.1545  0.4521  1
  F  F9  2  0.2218  0.0182  0.1098  1
  F  F10  2  0.3184  0.6383  0.7155  1
  F  F11  2  0.3871  0.3736  0.0976  1
  F  F12  2  0.4607  0.6119  0.4299  1
  F  F13  2  0.4865  0.9626  0.6698  1
]