data_[Ce12Ir4Os2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4048]
_cell_length_b [4.1107]
_cell_length_c [9.0139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6Ir2OsBr3]
_chemical_formula_sum '[Ce12 Ir4 Os2 Br6]'
_cell_volume [673.6210]
_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  0.0107  0.0000  0.2165  1.0
  Ce  Ce1  4  0.1527  0.5000  0.1104  1.0
  Ce  Ce2  4  0.1782  0.5000  0.5528  1.0
  Ir  Ir3  4  0.1668  0.0000  0.3335  1.0
  Os  Os4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1666  0.0000  0.8332  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]