data_[La12Os4I6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Os  2.2000  1.3000  0.6730
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1777]
_cell_length_b [12.3678]
_cell_length_c [8.5122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Os2I3N]
_chemical_formula_sum '[La12 Os4 I6 N2]'
_cell_volume [724.8619]
_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  8  0.2159  0.1577  0.1778  1
  La  La1  4  0.2414  0.5000  0.1799  1
  Os  Os2  4  0.0000  0.3331  0.0000  1
  I  I3  4  0.0000  0.1705  0.5000  1
  I  I4  2  0.0000  0.5000  0.5000  1
  N  N5  2  0.0000  0.0000  0.0000  1
]