data_[Tb2Tl2Ge2S8]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5308]
_cell_length_b [6.6760]
_cell_length_c [8.7782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9471]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [TbTlGeS4]
_chemical_formula_sum '[Tb2 Tl2 Ge2 S8]'
_cell_volume [366.1075]
_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  0.2264  0.2500  0.5530  1.0
  Tl  Tl1  2  0.2626  0.2500  0.0694  1.0
  Ge  Ge2  2  0.2290  0.7500  0.3270  1.0
  S  S3  4  0.0005  0.5063  0.7076  1.0
  S  S4  2  0.4329  0.7500  0.1667  1.0
  S  S5  2  0.4344  0.7500  0.5785  1.0
]