data_[Tb2Ho6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.9933]
_cell_length_b [3.9372]
_cell_length_c [11.2619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb(HoS2)3]
_chemical_formula_sum '[Tb2 Ho6 S12]'
_cell_volume [461.6156]
_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  0.0448  0.7500  0.6911  1.0
  Ho  Ho1  2  0.1607  0.7500  0.0844  1.0
  Ho  Ho2  2  0.3179  0.2500  0.4971  1.0
  Ho  Ho3  2  0.4340  0.7500  0.8317  1.0
  S  S4  2  0.0820  0.2500  0.9023  1.0
  S  S5  2  0.1120  0.7500  0.4629  1.0
  S  S6  2  0.1919  0.2500  0.2494  1.0
  S  S7  2  0.2560  0.2500  0.7241  1.0
  S  S8  2  0.3977  0.7500  0.0627  1.0
  S  S9  2  0.4775  0.7500  0.6126  1.0
]