data_[Li2Ni2B2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9522]
_cell_length_b [5.1370]
_cell_length_c [5.8219]
_cell_angle_alpha [93.3521]
_cell_angle_beta [113.2399]
_cell_angle_gamma [117.1846]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiNiBO3]
_chemical_formula_sum '[Li2 Ni2 B2 O6]'
_cell_volume [115.7778]
_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
[
  Li  Li0  2  0.4483  0.3894  0.6822  1.0
  Ni  Ni1  2  0.1708  0.7631  0.7512  1.0
  B  B2  2  0.1904  0.9087  0.2555  1.0
  O  O3  2  0.0118  0.3156  0.6622  1.0
  O  O4  2  0.2333  0.1957  0.2925  1.0
  O  O5  2  0.3744  0.8455  0.1533  1.0
]