data_[Cs2Sm2Tl2Se6]
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
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3802]
_cell_length_b [4.2822]
_cell_length_c [11.6464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0520]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsSmTlSe3]
_chemical_formula_sum '[Cs2 Sm2 Tl2 Se6]'
_cell_volume [442.1851]
_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  2  0.2337  0.2500  0.2695  1.0
  Sm  Sm1  2  0.3501  0.7500  0.8579  1.0
  Tl  Tl2  2  0.1304  0.2500  0.5803  1.0
  Se  Se3  2  0.1167  0.2500  0.8134  1.0
  Se  Se4  2  0.3309  0.7500  0.5923  1.0
  Se  Se5  2  0.4292  0.7500  0.1185  1.0
]