data_[Ce1Dy1Tl2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [7.1316]
_cell_length_b [4.1096]
_cell_length_c [7.8468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CeDy(TlS2)2]
_chemical_formula_sum '[Ce1 Dy1 Tl2 S4]'
_cell_volume [219.3558]
_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
[
  Ce  Ce0  1  0.5000  0.5000  0.0000  1.0
  Dy  Dy1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.0000  0.5000  0.5000  1.0
  Tl  Tl3  1  0.5000  0.0000  0.5000  1.0
  S  S4  2  0.2253  0.5000  0.1980  1.0
  S  S5  2  0.2592  0.0000  0.7992  1.0
]