data_[Ce8Os2Br10]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5904]
_cell_length_b [4.1334]
_cell_length_c [8.7964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.3964]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4OsBr5]
_chemical_formula_sum '[Ce8 Os2 Br10]'
_cell_volume [654.7098]
_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  0.0002  0.0000  0.2195  1.0
  Ce  Ce1  4  0.1509  0.5000  0.0813  1.0
  Os  Os2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1684  0.0000  0.3393  1.0
  Br  Br4  4  0.1715  0.0000  0.8340  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]