data_[Mn8B32]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.7610]
_cell_length_b [2.8874]
_cell_length_c [6.9356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MnB4]
_chemical_formula_sum '[Mn8 B32]'
_cell_volume [291.7886]
_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  2  0.0849  0.5000  0.2049  1
  Mn  Mn1  2  0.2465  0.5000  0.7828  1
  Mn  Mn2  2  0.4167  0.0000  0.2034  1
  Mn  Mn3  2  0.4995  0.5000  0.6750  1
  B  B4  2  0.0141  0.0000  0.3335  1
  B  B5  2  0.0154  0.5000  0.4580  1
  B  B6  2  0.0472  0.0000  0.9646  1
  B  B7  2  0.1074  0.5000  0.6562  1
  B  B8  2  0.1376  0.0000  0.7945  1
  B  B9  2  0.1629  0.0000  0.0470  1
  B  B10  2  0.1843  0.0000  0.3071  1
  B  B11  2  0.2156  0.5000  0.4424  1
  B  B12  2  0.2220  0.5000  0.1491  1
  B  B13  2  0.3278  0.5000  0.0652  1
  B  B14  2  0.3336  0.5000  0.3155  1
  B  B15  2  0.3363  0.5000  0.5685  1
  B  B16  2  0.3468  0.0000  0.9364  1
  B  B17  2  0.3675  0.0000  0.7116  1
  B  B18  2  0.3936  0.0000  0.4813  1
  B  B19  2  0.4721  0.0000  0.9189  1
]