data_[Ce4Re2Os2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Re  1.9000  1.3500  0.7125
  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 [5.4701]
_cell_length_b [5.6473]
_cell_length_c [9.4914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce2ReOsN6]
_chemical_formula_sum '[Ce4 Re2 Os2 N12]'
_cell_volume [239.3638]
_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
[
  Ce  Ce0  4  0.2591  0.5509  0.7500  1.0
  Re  Re1  2  0.0000  0.0000  0.5000  1.0
  Os  Os2  2  0.5000  0.0000  0.0000  1.0
  N  N3  4  0.1655  0.5182  0.2483  1.0
  N  N4  4  0.2426  0.2047  0.0459  1.0
  N  N5  4  0.3454  0.7001  0.0442  1.0
]