data_[Tb6Nd4Ho2S12]
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 [17.2816]
_cell_length_b [3.9524]
_cell_length_c [7.9841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4477]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb3Nd2HoS6]
_chemical_formula_sum '[Tb6 Nd4 Ho2 S12]'
_cell_volume [530.3954]
_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  4  0.1691  0.0000  0.8334  1
  Tb  Tb1  2  0.0000  0.5000  0.5000  1
  Nd  Nd2  4  0.1676  0.0000  0.3358  1
  Ho  Ho3  2  0.0000  0.5000  0.0000  1
  S  S4  4  0.0036  0.0000  0.7552  1
  S  S5  4  0.1633  0.5000  0.5912  1
  S  S6  4  0.1644  0.5000  0.0736  1
]