data_[Cs4Li4Sm4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7563]
_cell_length_b [13.1440]
_cell_length_c [10.9114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5685]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLiSmBr5]
_chemical_formula_sum '[Cs4 Li4 Sm4 Br20]'
_cell_volume [1282.5145]
_cell_formula_units_Z [4]
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  4  0.0000  0.3429  0.7500  1.0
  Li  Li1  4  0.0000  0.3076  0.2500  1.0
  Sm  Sm2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.0967  0.2009  0.1021  1.0
  Br  Br4  8  0.1977  0.4307  0.4179  1.0
  Br  Br5  4  0.0000  0.0693  0.7500  1.0
]