data_[La3B2Ru1N6]
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
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.4191]
_cell_length_b [5.4191]
_cell_length_c [6.3824]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La3B2RuN6]
_chemical_formula_sum '[La3 B2 Ru1 N6]'
_cell_volume [162.3167]
_cell_formula_units_Z [1]
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  2  0.3333  0.6667  0.6736  1
  La  La1  1  0.0000  0.0000  0.0000  1
  B  B2  2  0.3333  0.6667  0.2744  1
  Ru  Ru3  1  0.0000  0.0000  0.5000  1
  N  N4  6  0.1780  0.3559  0.2891  1
]