data_[Cr2H18Br6N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0357]
_cell_length_b [6.9331]
_cell_length_c [9.9756]
_cell_angle_alpha [86.1337]
_cell_angle_beta [86.4770]
_cell_angle_gamma [85.0381]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CrH9(BrN)3]
_chemical_formula_sum '[Cr2 H18 Br6 N6]'
_cell_volume [414.2786]
_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  0.0000  0.5000  0.5000  1
  Cr  Cr1  1  0.5000  0.0000  0.0000  1
  H  H2  2  0.0940  0.4719  0.2327  1
  H  H3  2  0.1027  0.1309  0.5945  1
  H  H4  2  0.1076  0.8406  0.9758  1
  H  H5  2  0.2426  0.8503  0.8273  1
  H  H6  2  0.2496  0.2721  0.6734  1
  H  H7  2  0.2508  0.6317  0.2853  1
  H  H8  2  0.3170  0.6826  0.9426  1
  H  H9  2  0.3212  0.3970  0.3086  1
  H  H10  2  0.3319  0.2101  0.5216  1
  Br  Br11  2  0.2617  0.7152  0.5862  1
  Br  Br12  2  0.2658  0.3063  0.9292  1
  Br  Br13  2  0.2961  0.9953  0.2274  1
  N  N14  2  0.1871  0.4997  0.3105  1
  N  N15  2  0.1924  0.2510  0.5805  1
  N  N16  2  0.2647  0.8265  0.9289  1
]