data_[Mn2C8Br6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [8.4066]
_cell_length_b [6.2392]
_cell_length_c [8.6917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [MnC4Br3N]
_chemical_formula_sum '[Mn2 C8 Br6 N2]'
_cell_volume [415.0115]
_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
[
  Mn  Mn0  2  0.0003  0.9968  0.0001  1
  C  C1  2  0.1857  0.2411  0.6048  1
  C  C2  2  0.3382  0.2307  0.5385  1
  C  C3  2  0.3456  0.0971  0.6836  1
  C  C4  2  0.4497  0.2151  0.8320  1
  Br  Br5  2  0.0991  0.7467  0.8294  1
  Br  Br6  2  0.1645  0.7462  0.2472  1
  Br  Br7  2  0.2655  0.2463  0.0691  1
  N  N8  2  0.3594  0.3641  0.6984  1
]