data_[Mn10Al4Si2B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.7990]
_cell_length_b [8.7990]
_cell_length_c [2.8016]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Mn5Al2SiB2]
_chemical_formula_sum '[Mn10 Al4 Si2 B4]'
_cell_volume [216.9082]
_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  8  0.0650  0.2112  0.5000  1.0
  Mn  Mn1  2  0.0000  0.5000  0.5000  1.0
  Al  Al2  4  0.1781  0.6781  0.0000  1.0
  Si  Si3  2  0.0000  0.0000  0.0000  1.0
  B  B4  4  0.1267  0.3733  0.0000  1.0
]