data_[Cu4H8N8F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [12.9092]
_cell_length_b [5.8501]
_cell_length_c [5.8362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [CuH2(NF2)2]
_chemical_formula_sum '[Cu4 H8 N8 F16]'
_cell_volume [440.7539]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1
  H  H1  8  0.2297  0.0000  0.5000  1
  N  N2  8  0.1466  0.0000  0.5000  1
  F  F3  8  0.0000  0.2169  0.7828  1
  F  F4  8  0.1415  0.0000  0.0000  1
]