data_[Ca3Tb3Dy12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Dy  1.2200  1.7500  1.1310
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0896]
_cell_length_b [8.0896]
_cell_length_c [19.8445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CaTb(DyS2)4]
_chemical_formula_sum '[Ca3 Tb3 Dy12 S24]'
_cell_volume [1124.6619]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.3748  1
  Tb  Tb1  3  0.0000  0.0000  0.0020  1
  Dy  Dy2  9  0.1693  0.3385  0.8327  1
  Dy  Dy3  3  0.0000  0.0000  0.6250  1
  S  S4  9  0.0269  0.5134  0.7539  1
  S  S5  9  0.1768  0.3536  0.5803  1
  S  S6  3  0.0000  0.0000  0.2395  1
  S  S7  3  0.0000  0.0000  0.7579  1
]