data_[Li6B2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [P1]
_cell_length_a [4.9388]
_cell_length_b [5.0712]
_cell_length_c [5.6877]
_cell_angle_alpha [116.2143]
_cell_angle_beta [92.9359]
_cell_angle_gamma [101.4873]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Li6B2O7]
_chemical_formula_sum '[Li6 B2 O7]'
_cell_volume [123.6608]
_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
[
  Li  Li0  1  0.0331  0.9307  0.9916  1
  Li  Li1  1  0.0346  0.6401  0.4752  1
  Li  Li2  1  0.1586  0.4767  0.0730  1
  Li  Li3  1  0.2182  0.1552  0.6414  1
  Li  Li4  1  0.5509  0.8553  0.0809  1
  Li  Li5  1  0.7520  0.2981  0.5992  1
  B  B6  1  0.5585  0.8042  0.5630  1
  B  B7  1  0.6694  0.3394  0.0781  1
  O  O8  1  0.1922  0.5631  0.7521  1
  O  O9  1  0.3759  0.8463  0.4018  1
  O  O10  1  0.3907  0.1908  0.9827  1
  O  O11  1  0.4697  0.5766  0.6509  1
  O  O12  1  0.8041  0.5745  0.0318  1
  O  O13  1  0.8309  0.2478  0.2268  1
  O  O14  1  0.8361  0.9386  0.6392  1
]