data_[Dy12Tl2Rh4Se6]
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
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9318]
_cell_length_b [3.9982]
_cell_length_c [8.5936]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6TlRh2Se3]
_chemical_formula_sum '[Dy12 Tl2 Rh4 Se6]'
_cell_volume [601.7412]
_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  0.0040  0.0000  0.7340  1
  Dy  Dy1  4  0.1740  0.5000  0.0888  1
  Dy  Dy2  4  0.1808  0.5000  0.5460  1
  Tl  Tl3  2  0.0000  0.5000  0.0000  1
  Rh  Rh4  4  0.1532  0.0000  0.2951  1
  Se  Se5  4  0.1662  0.0000  0.8187  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]