data_[Sr2Tb4Tl6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.5196]
_cell_length_b [4.2732]
_cell_length_c [9.0539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrTb2(TlSe2)3]
_chemical_formula_sum '[Sr2 Tb4 Tl6 Se12]'
_cell_volume [725.7947]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.0000  1.0
  Tb  Tb1  4  0.1693  0.0000  0.3351  1.0
  Tl  Tl2  4  0.1652  0.0000  0.8324  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0167  0.0000  0.2554  1.0
  Se  Se5  4  0.1664  0.5000  0.1176  1.0
  Se  Se6  4  0.1754  0.5000  0.5594  1.0
]