data_[Sc8Zn4B24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [8.9218]
_cell_length_b [11.2294]
_cell_length_c [3.4542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Sc2ZnB6]
_chemical_formula_sum '[Sc8 Zn4 B24]'
_cell_volume [346.0662]
_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
[
  Sc  Sc0  4  0.0565  0.6287  0.0000  1
  Sc  Sc1  4  0.1796  0.9136  0.0000  1
  Zn  Zn2  4  0.1394  0.1782  0.0000  1
  B  B3  4  0.0223  0.7885  0.5000  1
  B  B4  4  0.0513  0.0632  0.5000  1
  B  B5  4  0.1013  0.4725  0.5000  1
  B  B6  4  0.1315  0.3205  0.5000  1
  B  B7  4  0.2025  0.7396  0.5000  1
  B  B8  4  0.2464  0.5776  0.5000  1
]