data_[Ce4Os4Br4]
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 [Cm]
_cell_length_a [7.1733]
_cell_length_b [4.4367]
_cell_length_c [11.5627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1219]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CeOsBr]
_chemical_formula_sum '[Ce4 Os4 Br4]'
_cell_volume [358.3819]
_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
[
  Ce  Ce0  2  0.1914  0.5000  0.0406  1.0
  Ce  Ce1  2  0.3206  0.5000  0.3927  1.0
  Os  Os2  2  0.0757  0.0000  0.2167  1.0
  Os  Os3  2  0.4296  0.0000  0.2166  1.0
  Br  Br4  2  0.2286  0.0000  0.5604  1.0
  Br  Br5  2  0.4762  0.5000  0.8727  1.0
]