data_[Co4Br6N12O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.7450]
_cell_length_b [10.8233]
_cell_length_c [7.9922]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Co2Br3(N2O)3]
_chemical_formula_sum '[Co4 Br6 N12 O6]'
_cell_volume [666.1232]
_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
[
  Co  Co0  2  0.1379  0.8663  0.5696  1
  Co  Co1  2  0.1996  0.7025  0.8860  1
  Br  Br2  2  0.1566  0.4833  0.2432  1
  Br  Br3  2  0.1713  0.9004  0.1888  1
  Br  Br4  2  0.3010  0.2556  0.7089  1
  N  N5  2  0.0195  0.4790  0.4126  1
  N  N6  2  0.0892  0.7821  0.0258  1
  N  N7  2  0.2495  0.5648  0.9400  1
  N  N8  2  0.2676  0.8835  0.4071  1
  N  N9  2  0.4111  0.7781  0.8785  1
  N  N10  2  0.4234  0.1272  0.5494  1
  O  O11  2  0.1153  0.7282  0.6735  1
  O  O12  2  0.4055  0.8785  0.8183  1
  O  O13  2  0.4636  0.1684  0.4260  1
]