data_[Li3Ce3Dy12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0129]
_cell_length_b [8.0129]
_cell_length_c [20.0439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiCe(DyS2)4]
_chemical_formula_sum '[Li3 Ce3 Dy12 S24]'
_cell_volume [1114.5344]
_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  3  0.0000  0.0000  0.3755  1.0
  Ce  Ce1  3  0.0000  0.0000  0.0035  1.0
  Dy  Dy2  9  0.1727  0.3455  0.8319  1.0
  Dy  Dy3  3  0.0000  0.0000  0.6266  1.0
  S  S4  9  0.0142  0.5071  0.7547  1.0
  S  S5  9  0.1748  0.3497  0.5778  1.0
  S  S6  3  0.0000  0.0000  0.2426  1.0
  S  S7  3  0.0000  0.0000  0.7587  1.0
]