data_[Ce12Os4N2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Os  2.2000  1.3000  0.6730
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7267]
_cell_length_b [11.6292]
_cell_length_c [7.7013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6Os2NCl3]
_chemical_formula_sum '[Ce12 Os4 N2 Cl6]'
_cell_volume [576.8776]
_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  8  0.2202  0.1536  0.1981  1.0
  Ce  Ce1  4  0.2361  0.0000  0.7983  1.0
  Os  Os2  4  0.0000  0.3349  0.0000  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1753  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]