# generated using pymatgen
data_MnC4Br3N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.42242747
_cell_length_b   8.42242747
_cell_length_c   6.23547500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999585
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnC4Br3N
_chemical_formula_sum   'Mn2 C8 Br6 N2'
_cell_volume   383.06701001
_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  1  0.00000000  0.00000000  0.99952700  1.0
  Mn  Mn1  1  0.00000000  0.00000000  0.49952700  1.0
  C  C2  1  0.80364600  0.43889400  0.22813900  1.0
  C  C3  1  0.56110600  0.36475200  0.22813900  1.0
  C  C4  1  0.63524800  0.19635400  0.22813900  1.0
  C  C5  1  0.19635400  0.56110600  0.72813900  1.0
  C  C6  1  0.43889400  0.63524800  0.72813900  1.0
  C  C7  1  0.36475200  0.80364600  0.72813900  1.0
  C  C8  1  0.66666700  0.33333300  0.05709900  1.0
  C  C9  1  0.33333300  0.66666700  0.55709900  1.0
  Br  Br10  1  0.82159400  0.09215900  0.74841600  1.0
  Br  Br11  1  0.90784100  0.72943500  0.74841600  1.0
  Br  Br12  1  0.27056500  0.17840600  0.74841600  1.0
  Br  Br13  1  0.17840600  0.90784100  0.24841600  1.0
  Br  Br14  1  0.09215900  0.27056500  0.24841600  1.0
  Br  Br15  1  0.72943500  0.82159400  0.24841600  1.0
  N  N16  1  0.66666700  0.33333300  0.39593300  1.0
  N  N17  1  0.33333300  0.66666700  0.89593300  1.0