data_[Tb2Tl2Se2]
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 [Pma2]
_cell_length_a [4.2295]
_cell_length_b [10.5244]
_cell_length_c [17.7453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [28]
_chemical_formula_structural [TbTlSe]
_chemical_formula_sum '[Tb2 Tl2 Se2]'
_cell_volume [789.8889]
_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
[
  Tb  Tb0  2  0.2500  0.1628  0.5561  1
  Tl  Tl1  2  0.2500  0.8861  0.4013  1
  Se  Se2  2  0.2500  0.6836  0.5426  1
]