data_[La12Ru4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7411]
_cell_length_b [7.3730]
_cell_length_c [11.9943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [La6Ru2N]
_chemical_formula_sum '[La12 Ru4 N2]'
_cell_volume [494.2987]
_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  0.1328  0.0588  0.2584  1
  La  La1  4  0.2486  0.6646  0.0623  1
  La  La2  4  0.4002  0.1893  0.0666  1
  Ru  Ru3  4  0.2810  0.1059  0.7455  1
  N  N4  2  0.5000  0.0000  0.5000  1
]