data_[Sm4Tl6Sn2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.7453]
_cell_length_b [4.2225]
_cell_length_c [9.1209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3147]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Tl3SnSe6]
_chemical_formula_sum '[Sm4 Tl6 Sn2 Se12]'
_cell_volume [721.9287]
_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
[
  Sm  Sm0  4  0.1662  0.0000  0.3349  1.0
  Tl  Tl1  4  0.1690  0.0000  0.8383  1.0
  Tl  Tl2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0072  0.0000  0.2271  1.0
  Se  Se5  4  0.1557  0.5000  0.1058  1.0
  Se  Se6  4  0.1762  0.5000  0.5644  1.0
]