data_[Sr8Li4Sc4B16O40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Li  0.9800  1.4500  0.9000
  Sc  1.3600  1.6000  0.8850
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [12.4365]
_cell_length_b [5.2191]
_cell_length_c [13.8017]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.1293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr2LiSc(B2O5)2]
_chemical_formula_sum '[Sr8 Li4 Sc4 B16 O40]'
_cell_volume [790.0171]
_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
[
  Sr  Sr0  4  0.1697  0.6198  0.8515  1
  Sr  Sr1  4  0.4696  0.5617  0.1219  1
  Li  Li2  4  0.0197  0.1049  0.9020  1
  Sc  Sc3  4  0.2533  0.0690  0.1179  1
  B  B4  4  0.1047  0.1404  0.7068  1
  B  B5  4  0.1269  0.5820  0.0507  1
  B  B6  4  0.3581  0.5598  0.2730  1
  B  B7  4  0.3582  0.1099  0.9500  1
  O  O8  4  0.0731  0.0932  0.7864  1
  O  O9  4  0.1025  0.5754  0.1414  1
  O  O10  4  0.1185  0.6820  0.5044  1
  O  O11  4  0.1358  0.1236  0.1854  1
  O  O12  4  0.1589  0.1290  0.5117  1
  O  O13  4  0.3454  0.5754  0.3685  1
  O  O14  4  0.3608  0.5005  0.5412  1
  O  O15  4  0.3612  0.7118  0.7263  1
  O  O16  4  0.3692  0.1376  0.4365  1
  O  O17  4  0.3745  0.1635  0.7305  1
]