data_[Li3Sm3Dy12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0195]
_cell_length_b [8.0195]
_cell_length_c [19.8428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiSm(DyS2)4]
_chemical_formula_sum '[Li3 Sm3 Dy12 S24]'
_cell_volume [1105.1796]
_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  0.6247  1.0
  Sm  Sm1  3  0.0000  0.0000  0.9959  1.0
  Dy  Dy2  9  0.0122  0.5061  0.5015  1.0
  Dy  Dy3  3  0.0000  0.0000  0.3742  1.0
  S  S4  9  0.0187  0.5094  0.7545  1.0
  S  S5  9  0.1741  0.3483  0.5795  1.0
  S  S6  3  0.0000  0.0000  0.2414  1.0
  S  S7  3  0.0000  0.0000  0.7572  1.0
]