data_[Sr8Li4B24O46]
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
  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 [6.4480]
_cell_length_b [8.4412]
_cell_length_c [15.2692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9055]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sr4Li2B12O23]
_chemical_formula_sum '[Sr8 Li4 B24 O46]'
_cell_volume [813.2060]
_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
[
  Sr  Sr0  4  0.1091  0.0185  0.3863  1
  Sr  Sr1  4  0.4672  0.6744  0.2748  1
  Li  Li2  4  0.1587  0.1950  0.0251  1
  B  B3  4  0.0246  0.1223  0.1834  1
  B  B4  4  0.0763  0.1619  0.8074  1
  B  B5  4  0.2159  0.6044  0.6180  1
  B  B6  4  0.2531  0.6731  0.4606  1
  B  B7  4  0.4026  0.0390  0.5741  1
  B  B8  4  0.4335  0.1535  0.9238  1
  O  O9  4  0.0800  0.0018  0.7748  1
  O  O10  4  0.1310  0.7096  0.6764  1
  O  O11  4  0.1357  0.6524  0.5233  1
  O  O12  4  0.1506  0.2263  0.2497  1
  O  O13  4  0.1624  0.7136  0.3745  1
  O  O14  4  0.1708  0.0623  0.1294  1
  O  O15  4  0.1952  0.0836  0.5526  1
  O  O16  4  0.2213  0.1748  0.9027  1
  O  O17  4  0.4516  0.6241  0.6397  1
  O  O18  4  0.4740  0.6639  0.4843  1
  O  O19  4  0.4755  0.5294  0.8421  1
  O  O20  2  0.5000  0.0000  0.5000  1
]