data_[Ce10Ge2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2533]
_cell_length_b [5.9556]
_cell_length_c [8.4665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5GeBr5]
_chemical_formula_sum '[Ce10 Ge2 Br10]'
_cell_volume [634.0452]
_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  0.1637  0.0000  0.3205  1.0
  Ce  Ce1  4  0.1755  0.0000  0.8527  1.0
  Ce  Ce2  2  0.0000  0.5000  0.0000  1.0
  Ge  Ge3  2  0.0000  0.0000  0.0000  1.0
  Br  Br4  4  0.1514  0.5000  0.8045  1.0
  Br  Br5  4  0.1565  0.5000  0.3447  1.0
  Br  Br6  2  0.0000  0.0000  0.5000  1.0
]