[CIF]
data_MnB3Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92409046
_cell_length_b   3.92409046
_cell_length_c   10.62150340
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnB3Br
_chemical_formula_sum   'Mn2 B6 Br2'
_cell_volume   141.64284603
_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
  B  B0  1  0.99007168  0.57161815  2.65537585  1
  B  B1  1  2.93401877  0.57161815  2.65537585  1
  B  B2  1  1.96204523  2.25512572  2.65537585  1
  B  B3  1  0.97197354  2.82674387  7.96612755  1
  B  B4  1  -0.97197354  2.82674387  7.96612755  1
  B  B5  1  -0.00000000  1.14323631  7.96612755  1
  Br  Br6  1  0.00000000  0.00000000  0.00000000  1
  Br  Br7  1  0.00000000  0.00000000  5.31075170  1
  Mn  Mn8  1  1.96204523  1.13278734  7.96612755  1
  Mn  Mn9  1  -0.00000000  2.26557468  2.65537585  1
[/CIF]
