data_[Dy2Tl4P4S12]
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 [11.5564]
_cell_length_b [6.8781]
_cell_length_c [7.9992]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyTl2(PS3)2]
_chemical_formula_sum '[Dy2 Tl4 P4 S12]'
_cell_volume [563.6072]
_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  2  0.0000  0.5000  0.5000  1
  Tl  Tl1  4  0.2062  0.5000  0.1890  1
  P  P2  4  0.0466  0.0000  0.1799  1
  S  S3  8  0.0503  0.2440  0.7936  1
  S  S4  4  0.2421  0.0000  0.3871  1
]