data_[Cs1Sm1Cd2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0835]
_cell_length_b [7.1936]
_cell_length_c [10.1019]
_cell_angle_alpha [73.5290]
_cell_angle_beta [76.1269]
_cell_angle_gamma [74.3878]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSm(CdBr4)2]
_chemical_formula_sum '[Cs1 Sm1 Cd2 Br8]'
_cell_volume [467.9088]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.0000  0.5000  1.0
  Sm  Sm1  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  2  0.4546  0.4418  0.7191  1.0
  Br  Br3  2  0.1642  0.7035  0.2302  1.0
  Br  Br4  2  0.2627  0.7957  0.7965  1.0
  Br  Br5  2  0.2785  0.2382  0.9706  1.0
  Br  Br6  2  0.3883  0.2860  0.5298  1.0
]