data_[Tb1Tl2Bi1S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1352]
_cell_length_b [4.1009]
_cell_length_c [7.8497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TbTl2BiS4]
_chemical_formula_sum '[Tb1 Tl2 Bi1 S4]'
_cell_volume [219.0519]
_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  1  0.5000  0.0000  0.5000  1.0
  Tl  Tl1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.5000  0.5000  0.0000  1.0
  Bi  Bi3  1  0.0000  0.5000  0.5000  1.0
  S  S4  2  0.2425  0.0000  0.7060  1.0
  S  S5  2  0.2728  0.5000  0.2990  1.0
]