data_[Ce4Ru2Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ru  2.2000  1.3000  0.6610
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [3.9885]
_cell_length_b [5.8883]
_cell_length_c [9.1878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Ce2RuBr]
_chemical_formula_sum '[Ce4 Ru2 Br2]'
_cell_volume [215.7828]
_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  2  0.0000  0.5000  0.3105  1.0
  Ce  Ce1  2  0.0000  0.5000  0.9019  1.0
  Ru  Ru2  2  0.0000  0.0000  0.8765  1.0
  Br  Br3  2  0.0000  0.0000  0.4020  1.0
]