data_[Cs1Li2Sm1Br6]
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 [P-1]
_cell_length_a [7.1169]
_cell_length_b [7.3783]
_cell_length_c [8.9546]
_cell_angle_alpha [89.5573]
_cell_angle_beta [70.8934]
_cell_angle_gamma [62.8040]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsLi2SmBr6]
_chemical_formula_sum '[Cs1 Li2 Sm1 Br6]'
_cell_volume [389.5152]
_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  0.5000  0.0000  1.0
  Li  Li1  2  0.4474  0.3084  0.4185  1.0
  Sm  Sm2  1  0.0000  0.0000  0.5000  1.0
  Br  Br3  2  0.1608  0.2635  0.3329  1.0
  Br  Br4  2  0.1752  0.0121  0.7420  1.0
  Br  Br5  2  0.4459  0.6467  0.3292  1.0
]