data_[Tb3Dy12Ag3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0282]
_cell_length_b [8.0282]
_cell_length_c [19.7088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbDy4AgS8]
_chemical_formula_sum '[Tb3 Dy12 Ag3 S24]'
_cell_volume [1100.0736]
_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
[
  Tb  Tb0  3  0.0000  0.0000  0.0043  1.0
  Dy  Dy1  9  0.1724  0.3447  0.8319  1.0
  Dy  Dy2  3  0.0000  0.0000  0.6252  1.0
  Ag  Ag3  3  0.0000  0.0000  0.3746  1.0
  S  S4  9  0.0200  0.5100  0.7530  1.0
  S  S5  9  0.1775  0.3550  0.5802  1.0
  S  S6  3  0.0000  0.0000  0.2422  1.0
  S  S7  3  0.0000  0.0000  0.7585  1.0
]