data_[Li2Mg2B2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8193]
_cell_length_b [3.8193]
_cell_length_c [8.8870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [LiMgBN2]
_chemical_formula_sum '[Li2 Mg2 B2 N4]'
_cell_volume [129.6366]
_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  0.0000  0.5000  0.2500  1.0
  Mg  Mg1  2  0.0000  0.5000  0.7500  1.0
  B  B2  2  0.0000  0.0000  0.5000  1.0
  N  N3  4  0.0000  0.0000  0.3487  1.0
]