data_[Ce2Sc4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0821]
_cell_length_b [3.8405]
_cell_length_c [11.5709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce(ScBr3)2]
_chemical_formula_sum '[Ce2 Sc4 Br12]'
_cell_volume [575.5621]
_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
  Sc  Sc1  4  0.1557  0.5000  0.3125  1
  Br  Br2  4  0.0120  0.0000  0.2678  1
  Br  Br3  4  0.1777  0.5000  0.0943  1
  Br  Br4  4  0.1905  0.5000  0.5797  1
]