data_[La4Os4N12]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.8437]
_cell_length_b [10.2496]
_cell_length_c [7.2184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7396]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaOsN3]
_chemical_formula_sum '[La4 Os4 N12]'
_cell_volume [339.3684]
_cell_formula_units_Z [4]
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  0.2460  0.6667  0.5233  1.0
  Os  Os1  4  0.3095  0.0705  0.3490  1.0
  N  N2  4  0.0164  0.6537  0.1631  1.0
  N  N3  4  0.3034  0.0845  0.0953  1.0
  N  N4  4  0.3829  0.6153  0.9049  1.0
]