data_[Cs6Sm4Sn2Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0220]
_cell_length_b [13.8963]
_cell_length_c [9.3034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Sm2SnTe6]
_chemical_formula_sum '[Cs6 Sm4 Sn2 Te12]'
_cell_volume [993.3494]
_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
[
  Cs  Cs0  4  0.0000  0.1680  0.5000  1.0
  Cs  Cs1  2  0.0000  0.5000  0.5000  1.0
  Sm  Sm2  4  0.0000  0.3335  0.0000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Te  Te4  8  0.2282  0.1651  0.1897  1.0
  Te  Te5  4  0.2335  0.5000  0.1907  1.0
]