data_[Cs1Sm1Sn2Br8]
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
  Sn  1.9600  1.4500  0.8300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9106]
_cell_length_b [7.4013]
_cell_length_c [9.9100]
_cell_angle_alpha [83.4893]
_cell_angle_beta [85.7131]
_cell_angle_gamma [86.6645]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsSm(SnBr4)2]
_chemical_formula_sum '[Cs1 Sm1 Sn2 Br8]'
_cell_volume [501.5623]
_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
  Sn  Sn2  2  0.4775  0.4815  0.7522  1.0
  Br  Br3  2  0.2300  0.3240  0.9690  1.0
  Br  Br4  2  0.2466  0.8402  0.7961  1.0
  Br  Br5  2  0.2562  0.8528  0.2056  1.0
  Br  Br6  2  0.2611  0.3952  0.5558  1.0
]