data_[Dy12Tl2P4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.5646]
_cell_length_b [3.9825]
_cell_length_c [8.1563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6TlP2S3]
_chemical_formula_sum '[Dy12 Tl2 P4 S6]'
_cell_volume [555.9715]
_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
[
  Dy  Dy0  4  0.0020  0.0000  0.2707  1.0
  Dy  Dy1  4  0.1702  0.5000  0.5782  1.0
  Dy  Dy2  4  0.1732  0.5000  0.0953  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1677  0.0000  0.3361  1.0
  S  S5  4  0.1671  0.0000  0.8314  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]