data_[Na2Li2B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.5588]
_cell_length_b [4.5847]
_cell_length_c [5.2128]
_cell_angle_alpha [77.6545]
_cell_angle_beta [68.6751]
_cell_angle_gamma [79.1494]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaLiB]
_chemical_formula_sum '[Na2 Li2 B2]'
_cell_volume [98.4114]
_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
[
  Na  Na0  1  0.0761  0.4871  0.7265  1
  Na  Na1  1  0.5929  0.9569  0.6851  1
  Li  Li2  1  0.2582  0.1595  0.2081  1
  Li  Li3  1  0.6193  0.5327  0.2072  1
  B  B4  1  0.0800  0.7133  0.1880  1
  B  B5  1  0.8473  0.9872  0.1181  1
]