data_[Sm2Tl2Si2Se8]
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
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7767]
_cell_length_b [6.9300]
_cell_length_c [9.0474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SmTlSiSe4]
_chemical_formula_sum '[Sm2 Tl2 Si2 Se8]'
_cell_volume [405.5408]
_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  2  0.2331  0.2500  0.5542  1.0
  Tl  Tl1  2  0.2501  0.2500  0.0657  1.0
  Si  Si2  2  0.2208  0.7500  0.3212  1.0
  Se  Se3  4  0.0042  0.5059  0.7193  1.0
  Se  Se4  2  0.4141  0.7500  0.5760  1.0
  Se  Se5  2  0.4168  0.7500  0.1578  1.0
]