data_[Ce8Rh2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Rh  2.2800  1.3500  0.7450
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.5793]
_cell_length_b [4.0114]
_cell_length_c [8.6483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce4RhBr5]
_chemical_formula_sum '[Ce8 Rh2 Br10]'
_cell_volume [633.3443]
_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  0.0033  0.0000  0.2170  1.0
  Ce  Ce1  4  0.1659  0.5000  0.0611  1.0
  Rh  Rh2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1656  0.0000  0.7953  1.0
  Br  Br4  4  0.1675  0.0000  0.3231  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]