# generated using pymatgen
data_CrH9(BrN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03567200
_cell_length_b   6.93311332
_cell_length_c   9.97561320
_cell_angle_alpha   86.13368347
_cell_angle_beta   86.47699175
_cell_angle_gamma   85.03809781
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrH9(BrN)3
_chemical_formula_sum   'Cr2 H18 Br6 N6'
_cell_volume   414.27856908
_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  0.50000000  0.00000000  0.00000000  1.0
  Cr  Cr1  1  0.00000000  0.50000000  0.50000000  1.0
  H  H2  1  0.75742500  0.14972600  0.17272800  1.0
  H  H3  1  0.24257500  0.85027400  0.82727200  1.0
  H  H4  1  0.10265500  0.13090000  0.59452300  1.0
  H  H5  1  0.89734500  0.86910000  0.40547700  1.0
  H  H6  1  0.25078900  0.63172000  0.28525300  1.0
  H  H7  1  0.74921100  0.36828000  0.71474700  1.0
  H  H8  1  0.09404400  0.47188900  0.23272400  1.0
  H  H9  1  0.90595600  0.52811100  0.76727600  1.0
  H  H10  1  0.32121300  0.39699100  0.30860000  1.0
  H  H11  1  0.67878700  0.60300900  0.69140000  1.0
  H  H12  1  0.24960100  0.27211200  0.67341100  1.0
  H  H13  1  0.75039900  0.72788800  0.32658900  1.0
  H  H14  1  0.89237400  0.15942700  0.02417100  1.0
  H  H15  1  0.10762600  0.84057300  0.97582900  1.0
  H  H16  1  0.68295800  0.31742500  0.05744800  1.0
  H  H17  1  0.31704200  0.68257500  0.94255200  1.0
  H  H18  1  0.33189000  0.21008100  0.52160600  1.0
  H  H19  1  0.66811000  0.78991900  0.47839400  1.0
  Br  Br20  1  0.70388100  0.00470300  0.77256600  1.0
  Br  Br21  1  0.29611900  0.99529700  0.22743400  1.0
  Br  Br22  1  0.26579400  0.30631400  0.92916200  1.0
  Br  Br23  1  0.73420600  0.69368600  0.07083800  1.0
  Br  Br24  1  0.26172000  0.71518800  0.58621000  1.0
  Br  Br25  1  0.73828000  0.28481200  0.41379000  1.0
  N  N26  1  0.18711000  0.49969300  0.31048900  1.0
  N  N27  1  0.81289000  0.50030700  0.68951100  1.0
  N  N28  1  0.19242400  0.25100500  0.58049300  1.0
  N  N29  1  0.80757600  0.74899500  0.41950700  1.0
  N  N30  1  0.73534000  0.17346400  0.07112500  1.0
  N  N31  1  0.26466000  0.82653600  0.92887500  1.0