data_[Li9Dy3Sc12Se24]
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 [R-3m]
_cell_length_a [7.7731]
_cell_length_b [7.7731]
_cell_length_c [19.4664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li3Dy(ScSe2)4]
_chemical_formula_sum '[Li9 Dy3 Sc12 Se24]'
_cell_volume [1018.5934]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1.0
  Dy  Dy1  3  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  9  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  3  -0.0000  -0.0000  0.5000  1.0
  Se  Se4  18  0.0062  0.5031  0.2481  1.0
  Se  Se5  6  0.0000  0.0000  0.2473  1.0
]