data_[Mn10B12]
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 [Cmmm]
_cell_length_a [2.9568]
_cell_length_b [20.3555]
_cell_length_c [2.9763]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mn5B6]
_chemical_formula_sum '[Mn10 B12]'
_cell_volume [179.1353]
_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  4  0.0000  0.1968  0.5000  1.0
  Mn  Mn1  4  0.0000  0.3836  0.0000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.0000  1.0
  B  B3  4  0.0000  0.0896  0.5000  1.0
  B  B4  4  0.0000  0.2757  0.0000  1.0
  B  B5  4  0.0000  0.4579  0.5000  1.0
]