data_[Mn2B4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  B  2.0400  0.8500  0.4100
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.5696]
_cell_length_b [10.5766]
_cell_length_c [6.0156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(BBr4)2]
_chemical_formula_sum '[Mn2 B4 Br16]'
_cell_volume [733.3284]
_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  0.0000  0.0000  0.0000  1.0
  B  B1  4  0.2044  0.0000  0.6497  1.0
  Br  Br2  8  0.1171  0.1564  0.7589  1.0
  Br  Br3  4  0.1314  0.5000  0.2294  1.0
  Br  Br4  4  0.1989  0.0000  0.3100  1.0
]