data_[Ba4Ce8Os4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6308]
_cell_length_b [12.2136]
_cell_length_c [12.3807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaCe2OsN4]
_chemical_formula_sum '[Ba4 Ce8 Os4 N16]'
_cell_volume [549.0285]
_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
[
  Ba  Ba0  4  0.0000  0.0768  0.7500  1.0
  Ce  Ce1  8  0.0000  0.3664  0.5478  1.0
  Os  Os2  4  0.0000  0.1872  0.2500  1.0
  N  N3  8  0.0000  0.2489  0.1036  1.0
  N  N4  4  0.0000  0.0000  0.0000  1.0
  N  N5  4  0.0000  0.3852  0.7500  1.0
]