# generated using pymatgen
data_ZrPCN(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47428100
_cell_length_b   6.50465292
_cell_length_c   10.90258141
_cell_angle_alpha   89.24860444
_cell_angle_beta   76.41900449
_cell_angle_gamma   86.96777138
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrPCN(OF)3
_chemical_formula_sum   'Zr2 P2 C2 N2 O6 F6'
_cell_volume   376.83882485
_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  1  0.50000000  0.50000000  0.50000000  1.0
  Zr  Zr1  1  0.00000000  0.50000000  0.00000000  1.0
  P  P2  1  0.41146400  0.67174500  0.19345900  1.0
  P  P3  1  0.58853600  0.32825500  0.80654100  1.0
  C  C4  1  0.32330700  0.92579200  0.24557400  1.0
  C  C5  1  0.67669300  0.07420800  0.75442600  1.0
  N  N6  1  0.26105600  0.09165900  0.28403500  1.0
  N  N7  1  0.73894400  0.90834100  0.71596500  1.0
  O  O8  1  0.66798600  0.67544500  0.09972300  1.0
  O  O9  1  0.33201400  0.32455500  0.90027700  1.0
  O  O10  1  0.43287400  0.54044000  0.30773700  1.0
  O  O11  1  0.56712600  0.45956000  0.69226300  1.0
  O  O12  1  0.21006200  0.60246800  0.12975000  1.0
  O  O13  1  0.78993800  0.39753200  0.87025000  1.0
  F  F14  1  0.81023000  0.65792700  0.43544500  1.0
  F  F15  1  0.18977000  0.34207300  0.56455500  1.0
  F  F16  1  0.70026400  0.23702300  0.44904000  1.0
  F  F17  1  0.29973600  0.76297700  0.55096000  1.0
  F  F18  1  0.10551000  0.73977500  0.89197900  1.0
  F  F19  1  0.89449000  0.26022500  0.10802100  1.0