data_[Tb1Dy1Tl2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0068]
_cell_length_b [4.0454]
_cell_length_c [7.8840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TbDy(TlS2)2]
_chemical_formula_sum '[Tb1 Dy1 Tl2 S4]'
_cell_volume [213.4618]
_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
  Dy  Dy1  1  0.0000  0.5000  0.5000  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl3  1  0.5000  0.5000  0.0000  1.0
  S  S4  2  0.2315  0.0000  0.6980  1.0
  S  S5  2  0.2662  0.5000  0.3015  1.0
]