data_[Li2Ni2B2]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8771]
_cell_length_b [3.8818]
_cell_length_c [4.4106]
_cell_angle_alpha [97.6136]
_cell_angle_beta [91.1352]
_cell_angle_gamma [102.2941]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiNiB]
_chemical_formula_sum '[Li2 Ni2 B2]'
_cell_volume [64.2070]
_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  0.2469  0.2545  0.9795  1.0
  Ni  Ni1  2  0.3008  0.7009  0.5073  1.0
  B  B2  2  0.1723  0.1694  0.4776  1.0
]