data_[Tb1Tl3Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pm]
_cell_length_a [7.5279]
_cell_length_b [4.0824]
_cell_length_c [21.4324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Tb(TlSe)3]
_chemical_formula_sum '[Tb1 Tl3 Se3]'
_cell_volume [658.6603]
_cell_formula_units_Z [1]
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
[
  Tb  Tb0  1  0.2500  0.0000  0.4930  1
  Tl  Tl1  1  0.5092  0.0000  0.6535  1
  Tl  Tl2  1  0.7284  0.5000  0.3533  1
  Tl  Tl3  1  0.7709  0.5000  0.5318  1
  Se  Se4  1  0.0675  0.5000  0.4306  1
  Se  Se5  1  0.2857  0.5000  0.5898  1
  Se  Se6  1  0.5923  0.0000  0.4480  1
]