data_[Co1Br1N1]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.1637]
_cell_length_b [3.7511]
_cell_length_c [5.4154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3802]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CoBrN]
_chemical_formula_sum '[Co1 Br1 N1]'
_cell_volume [62.2517]
_cell_formula_units_Z [1]
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  1  0.3329  0.5000  0.9334  1
  Br  Br1  1  0.2189  0.0000  0.6657  1
  N  N2  1  0.8848  0.5000  0.0557  1
]