data_[Mn8B8O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3210]
_cell_length_b [13.0879]
_cell_length_c [3.9938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnBO3]
_chemical_formula_sum '[Mn8 B8 O24]'
_cell_volume [428.1565]
_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  8  0.2403  0.3377  0.7490  1
  B  B1  4  0.0000  0.0041  0.7500  1
  B  B2  4  0.0000  0.2990  0.2500  1
  O  O3  8  0.0974  0.0557  0.0467  1
  O  O4  8  0.1027  0.2305  0.5088  1
  O  O5  8  0.1143  0.3609  0.0979  1
]