# generated using pymatgen
data_Cu(NF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85040463
_cell_length_b   6.85040463
_cell_length_c   5.73067500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   130.56855975
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu(NF2)2
_chemical_formula_sum   'Cu2 N4 F8'
_cell_volume   204.28635642
_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
  Cu  Cu0  1  0.50000000  0.50000000  0.50000000  1.0
  Cu  Cu1  1  0.00000000  0.00000000  0.00000000  1.0
  N  N2  1  0.84880500  0.15119500  0.50000000  1.0
  N  N3  1  0.34880500  0.65119500  0.00000000  1.0
  N  N4  1  0.15119500  0.84880500  0.50000000  1.0
  N  N5  1  0.65119500  0.34880500  0.00000000  1.0
  F  F6  1  0.64497200  0.35502800  0.50000000  1.0
  F  F7  1  0.14497200  0.85502800  0.00000000  1.0
  F  F8  1  0.35502800  0.64497200  0.50000000  1.0
  F  F9  1  0.85502800  0.14497200  0.00000000  1.0
  F  F10  1  0.27608700  0.27608700  0.72413200  1.0
  F  F11  1  0.72391300  0.72391300  0.27586800  1.0
  F  F12  1  0.22391300  0.22391300  0.22413200  1.0
  F  F13  1  0.77608700  0.77608700  0.77586800  1.0