data_[Ce4H8Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9224]
_cell_length_b [3.8392]
_cell_length_c [8.0567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7815]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2H4Br3]
_chemical_formula_sum '[Ce4 H8 Br6]'
_cell_volume [302.4524]
_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  0.1932  0.5000  0.7856  1
  H  H1  4  0.1147  0.0000  0.6931  1
  H  H2  4  0.2377  0.5000  0.0680  1
  Br  Br3  4  0.1207  0.5000  0.3722  1
  Br  Br4  2  0.0000  0.0000  0.0000  1
]