data_[Tb2Dy6Ho4S12]
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
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7783]
_cell_length_b [11.7035]
_cell_length_c [6.7116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5516]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbDy3(HoS3)2]
_chemical_formula_sum '[Tb2 Dy6 Ho4 S12]'
_cell_volume [501.7349]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.0000  1.0
  Dy  Dy1  4  0.0000  0.1655  0.5000  1.0
  Dy  Dy2  2  0.0000  0.5000  0.5000  1.0
  Ho  Ho3  4  0.0000  0.3335  0.0000  1.0
  S  S4  8  0.2490  0.3321  0.7504  1.0
  S  S5  4  0.2471  0.5000  0.2486  1.0
]