data_[Li2Dy2Sc2Se6]
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
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0213]
_cell_length_b [3.8845]
_cell_length_c [8.6427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiDyScSe3]
_chemical_formula_sum '[Li2 Dy2 Sc2 Se6]'
_cell_volume [261.0452]
_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  2  0.0912  0.2500  0.5891  1.0
  Dy  Dy1  2  0.1927  0.2500  0.2317  1.0
  Sc  Sc2  2  0.3366  0.7500  0.8420  1.0
  Se  Se3  2  0.0966  0.2500  0.8746  1.0
  Se  Se4  2  0.2345  0.7500  0.5014  1.0
  Se  Se5  2  0.4325  0.7500  0.1693  1.0
]