# generated using pymatgen
data_CrN4Cl(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.19036291
_cell_length_b   10.19036291
_cell_length_c   10.19036291
_cell_angle_alpha   136.90961244
_cell_angle_beta   136.90961244
_cell_angle_gamma   62.57715123
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrN4Cl(O2F)2
_chemical_formula_sum   'Cr2 N8 Cl2 O8 F4'
_cell_volume   487.82142911
_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
  Cr  Cr0  1  0.95978500  0.45978500  0.50000000  1.0
  Cr  Cr1  1  0.20978500  0.20978500  0.00000000  1.0
  N  N2  1  0.19917700  0.94537300  0.74619500  1.0
  N  N3  1  0.19917700  0.45298200  0.25380500  1.0
  N  N4  1  0.20298200  0.44917700  0.75380500  1.0
  N  N5  1  0.69537300  0.44917700  0.24619500  1.0
  N  N6  1  0.86593000  0.54175200  0.67582200  1.0
  N  N7  1  0.86593000  0.19010700  0.32417800  1.0
  N  N8  1  0.94010700  0.11593000  0.82417800  1.0
  N  N9  1  0.29175200  0.11593000  0.17582200  1.0
  Cl  Cl10  1  0.42008000  0.92008000  0.50000000  1.0
  Cl  Cl11  1  0.67008000  0.67008000  0.00000000  1.0
  O  O12  1  0.47589600  0.12671200  0.65081600  1.0
  O  O13  1  0.47589600  0.82508000  0.34918400  1.0
  O  O14  1  0.57508000  0.72589600  0.84918400  1.0
  O  O15  1  0.87671200  0.72589600  0.15081600  1.0
  O  O16  1  0.62472800  0.46550800  0.84078000  1.0
  O  O17  1  0.62472800  0.78394800  0.15922000  1.0
  O  O18  1  0.53394800  0.87472800  0.65922000  1.0
  O  O19  1  0.21550800  0.87472800  0.34078000  1.0
  F  F20  1  0.02218600  0.71209000  0.68990400  1.0
  F  F21  1  0.02218600  0.33228200  0.31009600  1.0
  F  F22  1  0.08228200  0.27218600  0.81009600  1.0
  F  F23  1  0.46209000  0.27218600  0.18990400  1.0