data_[Tb9Ho3Er9S24]
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
  Er  1.2400  1.7500  1.0300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.7705]
_cell_length_b [7.7705]
_cell_length_c [19.0981]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb3HoEr3S8]
_chemical_formula_sum '[Tb9 Ho3 Er9 S24]'
_cell_volume [998.6634]
_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
[
  Tb  Tb0  9  0.0000  0.5000  0.5000  1.0
  Ho  Ho1  3  0.0000  0.0000  0.0000  1.0
  Er  Er2  9  0.0000  0.5000  0.0000  1.0
  S  S3  18  0.0029  0.5015  0.2512  1.0
  S  S4  6  0.0000  0.0000  0.2519  1.0
]