data_[Tb2Tl2Cu6S8]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8635]
_cell_length_b [6.9692]
_cell_length_c [9.8647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbTlCu3S4]
_chemical_formula_sum '[Tb2 Tl2 Cu6 S8]'
_cell_volume [394.3106]
_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  0.0909  0.2500  0.2992  1
  Tl  Tl1  2  0.2468  0.2500  0.9048  1
  Cu  Cu2  4  0.2930  0.5599  0.5239  1
  Cu  Cu3  2  0.4366  0.7500  0.7758  1
  S  S4  4  0.4066  0.5181  0.2991  1
  S  S5  2  0.0278  0.2500  0.5589  1
  S  S6  2  0.2185  0.7500  0.9328  1
]