data_[La8B4N10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6382]
_cell_length_b [3.6853]
_cell_length_c [9.1899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.5522]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4B2N5]
_chemical_formula_sum '[La8 B4 N10]'
_cell_volume [330.0296]
_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
[
  La  La0  4  0.0767  0.5000  0.8448  1.0
  La  La1  4  0.1878  0.0000  0.6142  1.0
  B  B2  4  0.0884  0.0000  0.1100  1.0
  N  N3  4  0.1165  0.0000  0.2938  1.0
  N  N4  4  0.2014  0.0000  0.1014  1.0
  N  N5  2  0.0000  0.5000  0.5000  1.0
]