data_[Dy12Tl2Sn4Se6]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0114]
_cell_length_b [4.2176]
_cell_length_c [8.6136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.9196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Dy6TlSn2Se3]
_chemical_formula_sum '[Dy12 Tl2 Sn4 Se6]'
_cell_volume [645.1255]
_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  0.0095  0.0000  0.7336  1.0
  Dy  Dy1  4  0.1668  0.5000  0.5754  1.0
  Dy  Dy2  4  0.1725  0.5000  0.0645  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn4  4  0.1581  0.0000  0.3095  1.0
  Se  Se5  4  0.1686  0.0000  0.8214  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]