data_[Li6Dy4Al2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Dy  1.2200  1.7500  1.1310
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8760]
_cell_length_b [11.9204]
_cell_length_c [6.8474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4072]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Dy2AlSe6]
_chemical_formula_sum '[Li6 Dy4 Al2 Se12]'
_cell_volume [529.3541]
_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
[
  Li  Li0  4  0.0000  0.1595  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Dy  Dy2  4  0.0000  0.3323  0.0000  1.0
  Al  Al3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  8  0.2362  0.1544  0.2458  1.0
  Se  Se5  4  0.2281  0.0000  0.7611  1.0
]