data_[Cu4N1F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6062]
_cell_length_b [8.9013]
_cell_length_c [17.0173]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [91.3653]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Cu4NF4]
_chemical_formula_sum '[Cu4 N1 F4]'
_cell_volume [546.1003]
_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
[
  Cu  Cu0  1  0.1933  0.1485  0.4975  1
  Cu  Cu1  1  0.2024  0.6477  0.5063  1
  Cu  Cu2  1  0.6675  0.8532  0.5076  1
  Cu  Cu3  1  0.7313  0.4437  0.4918  1
  N  N4  1  0.7026  0.6479  0.5047  1
  F  F5  1  0.0788  0.9597  0.4470  1
  F  F6  1  0.3067  0.3355  0.5496  1
  F  F7  1  0.5588  0.0414  0.5570  1
  F  F8  1  0.8311  0.2584  0.4384  1
]