data_[La4Dy2Tl6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Dy  1.2200  1.7500  1.1310
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5417]
_cell_length_b [13.0509]
_cell_length_c [8.1280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9993]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Dy(TlSe2)3]
_chemical_formula_sum '[La4 Dy2 Tl6 Se12]'
_cell_volume [760.8540]
_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
[
  La  La0  4  0.0000  0.3334  0.0000  1.0
  Dy  Dy1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1677  0.5000  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  8  0.2302  0.1607  0.2081  1.0
  Se  Se5  4  0.2488  0.5000  0.2108  1.0
]