data_[Tb2Nd4Ho6S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  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 [17.3133]
_cell_length_b [3.9232]
_cell_length_c [7.9622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbNd2(HoS2)3]
_chemical_formula_sum '[Tb2 Nd4 Ho6 S12]'
_cell_volume [524.6122]
_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  0.5000  0.0000  1.0
  Nd  Nd1  4  0.1674  0.0000  0.3349  1.0
  Ho  Ho2  4  0.1683  0.0000  0.8332  1.0
  Ho  Ho3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0043  0.0000  0.7494  1.0
  S  S5  4  0.1624  0.5000  0.5933  1.0
  S  S6  4  0.1668  0.5000  0.0716  1.0
]