data_[Mn8C32Br8O32]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.7695]
_cell_length_b [11.9585]
_cell_length_c [13.0358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3423]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnC4BrO4]
_chemical_formula_sum '[Mn8 C32 Br8 O32]'
_cell_volume [1436.9960]
_cell_formula_units_Z [8]
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  4  0.1866  0.6259  0.2194  1
  Mn  Mn1  4  0.3979  0.1232  0.1787  1
  C  C2  4  0.0454  0.5392  0.2431  1
  C  C3  4  0.0478  0.7143  0.1254  1
  C  C4  4  0.1927  0.7182  0.3384  1
  C  C5  4  0.1951  0.5334  0.1048  1
  C  C6  4  0.2562  0.2108  0.2002  1
  C  C7  4  0.2623  0.0290  0.0885  1
  C  C8  4  0.4007  0.2130  0.0607  1
  C  C9  4  0.4118  0.0356  0.3026  1
  Br  Br10  4  0.3929  0.5074  0.3470  1
  Br  Br11  4  0.3951  0.7431  0.1950  1
  O  O12  4  0.0429  0.2321  0.9344  1
  O  O13  4  0.0474  0.5130  0.7436  1
  O  O14  4  0.1646  0.2343  0.7121  1
  O  O15  4  0.1764  0.5303  0.5318  1
  O  O16  4  0.1930  0.7254  0.9104  1
  O  O17  4  0.1976  0.0241  0.5342  1
  O  O18  4  0.4007  0.2314  0.4884  1
  O  O19  4  0.4204  0.5157  0.8794  1
]