data_[Tb2Tl4Cu4Se8]
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
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9058]
_cell_length_b [3.9985]
_cell_length_c [8.0467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbTl2(CuSe2)2]
_chemical_formula_sum '[Tb2 Tl4 Cu4 Se8]'
_cell_volume [456.0014]
_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  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.1325  0.0000  0.5592  1.0
  Cu  Cu2  4  0.1826  0.5000  0.9903  1.0
  Se  Se3  4  0.0258  0.5000  0.7625  1.0
  Se  Se4  4  0.2024  0.0000  0.1805  1.0
]