data_[Sc4Sn4B8O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Sn  1.9600  1.4500  0.8300
  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 [7.8828]
_cell_length_b [9.7869]
_cell_length_c [6.2074]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ScSn(BO3)2]
_chemical_formula_sum '[Sc4 Sn4 B8 O24]'
_cell_volume [461.0019]
_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  0.0000  0.4215  0.7500  1.0
  Sn  Sn1  4  0.0000  0.0983  0.2500  1.0
  B  B2  8  0.2463  0.1583  0.7590  1.0
  O  O3  8  0.1088  0.4078  0.1057  1.0
  O  O4  8  0.1182  0.0756  0.6182  1.0
  O  O5  8  0.2251  0.2977  0.7502  1.0
]