data_[Ce10Ge4Br10]
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 [13.5309]
_cell_length_b [4.1436]
_cell_length_c [13.2131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3144]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5Ge2Br5]
_chemical_formula_sum '[Ce10 Ge4 Br10]'
_cell_volume [707.2341]
_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  0.1278  0.0000  0.4172  1
  Ce  Ce1  4  0.1658  0.5000  0.8059  1
  Ce  Ce2  2  0.0000  0.0000  0.0000  1
  Ge  Ge3  4  0.0139  0.0000  0.7897  1
  Br  Br4  4  0.1695  0.5000  0.0509  1
  Br  Br5  4  0.2432  0.0000  0.6583  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]