data_[Tb4Tl1Bi1Se2]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3937]
_cell_length_b [4.2034]
_cell_length_c [7.5226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb4TlBiSe2]
_chemical_formula_sum '[Tb4 Tl1 Bi1 Se2]'
_cell_volume [221.6640]
_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  2  0.2455  0.5000  0.2333  1.0
  Tb  Tb1  2  0.2611  0.0000  0.7663  1.0
  Tl  Tl2  1  0.5000  0.0000  0.5000  1.0
  Bi  Bi3  1  0.0000  0.5000  0.5000  1.0
  Se  Se4  1  0.0000  0.0000  0.0000  1.0
  Se  Se5  1  0.5000  0.5000  0.0000  1.0
]