data_[Sr8Li2B22H2O43]
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
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5473]
_cell_length_b [8.5798]
_cell_length_c [15.0508]
_cell_angle_alpha [101.0389]
_cell_angle_beta [93.9415]
_cell_angle_gamma [90.5748]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr8Li2B22H2O43]
_chemical_formula_sum '[Sr8 Li2 B22 H2 O43]'
_cell_volume [827.6350]
_cell_formula_units_Z [1]
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  2  0.0417  0.6004  0.2659  1
  Sr  Sr1  2  0.1184  0.0744  0.2227  1
  Sr  Sr2  2  0.3550  0.0278  0.6181  1
  Sr  Sr3  2  0.4893  0.6202  0.8948  1
  Li  Li4  2  0.3514  0.6844  0.4738  1
  B  B5  2  0.0382  0.6809  0.5777  1
  B  B6  2  0.0586  0.3172  0.0609  1
  B  B7  2  0.1210  0.9328  0.4261  1
  B  B8  2  0.1576  0.2304  0.8967  1
  B  B9  2  0.2081  0.7074  0.0644  1
  B  B10  2  0.2352  0.3471  0.5412  1
  B  B11  2  0.3239  0.3540  0.3799  1
  B  B12  2  0.3607  0.7335  0.6951  1
  B  B13  2  0.3677  0.9911  0.8248  1
  B  B14  2  0.4627  0.4491  0.6903  1
  B  B15  2  0.4703  0.2754  0.8200  1
  H  H16  2  0.4339  0.0141  0.0627  1
  O  O17  2  0.0249  0.3425  0.5157  1
  O  O18  2  0.0285  0.9092  0.3403  1
  O  O19  2  0.0715  0.7553  0.1284  1
  O  O20  2  0.0977  0.3233  0.3579  1
  O  O21  2  0.1171  0.3457  0.1496  1
  O  O22  2  0.1516  0.6892  0.9714  1
  O  O23  2  0.1997  0.2982  0.9953  1
  O  O24  2  0.2032  0.0630  0.8779  1
  O  O25  2  0.2421  0.7081  0.5989  1
  O  O26  2  0.2613  0.3242  0.8404  1
  O  O27  2  0.2708  0.8673  0.7514  1
  O  O28  2  0.2957  0.3393  0.6296  1
  O  O29  2  0.3192  0.8981  0.4485  1
  O  O30  2  0.3503  0.5888  0.7318  1
  O  O31  2  0.3708  0.5132  0.3637  1
  O  O32  2  0.3723  0.3477  0.4778  1
  O  O33  2  0.4070  0.6748  0.0849  1
  O  O34  2  0.4286  0.2274  0.3236  1
  O  O35  2  0.4424  0.6306  0.2401  1
  O  O36  2  0.4785  0.0892  0.1179  1
  O  O37  2  0.4870  0.1064  0.7859  1
  O  O38  1  0.0000  0.0000  0.5000  1
]