data_[Ce2Cu10Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1612]
_cell_length_b [10.3698]
_cell_length_c [13.7818]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4664]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeCu5Br12]
_chemical_formula_sum '[Ce2 Cu10 Br24]'
_cell_volume [1278.4059]
_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  0.0000  0.0000  1
  Cu  Cu1  4  0.0000  0.1667  0.5000  1
  Cu  Cu2  4  0.0000  0.3189  0.0000  1
  Cu  Cu3  2  0.0000  0.5000  0.5000  1
  Br  Br4  8  0.0457  0.1939  0.1476  1
  Br  Br5  8  0.1268  0.3327  0.6081  1
  Br  Br6  4  0.1248  0.0000  0.6087  1
  Br  Br7  4  0.1865  0.5000  0.9982  1
]