data_[Tb4Tl8Ga4S16]
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
  Ga  1.8100  1.3000  0.7600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [8.0340]
_cell_length_b [8.3174]
_cell_length_c [11.6565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [TbTl2GaS4]
_chemical_formula_sum '[Tb4 Tl8 Ga4 S16]'
_cell_volume [778.9088]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.0000  0.5000  1
  Tl  Tl2  4  0.2500  0.2500  0.2500  1
  Ga  Ga3  4  0.2500  0.2500  0.7500  1
  S  S4  8  0.0000  0.0472  0.7610  1
  S  S5  8  0.2241  0.2500  0.9755  1
]