data_[Mn4B16]
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 [P2_1/c]
_cell_length_a [5.4437]
_cell_length_b [5.3639]
_cell_length_c [5.4759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8137]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MnB4]
_chemical_formula_sum '[Mn4 B16]'
_cell_volume [145.1311]
_cell_formula_units_Z [4]
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  0.2705  0.5005  0.7763  1.0
  B  B1  4  0.1298  0.6797  0.3734  1.0
  B  B2  4  0.1627  0.1306  0.8412  1.0
  B  B3  4  0.3294  0.6308  0.1744  1.0
  B  B4  4  0.3641  0.1859  0.6375  1.0
]