data_[Tb3Y3Ho12S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Ho  1.2300  1.7500  1.0410
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.0252]
_cell_length_b [8.0252]
_cell_length_c [19.6858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbY(HoS2)4]
_chemical_formula_sum '[Tb3 Y3 Ho12 S24]'
_cell_volume [1097.9873]
_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  3  0.0000  0.0000  0.3747  1
  Y  Y1  3  0.0000  0.0000  0.9999  1
  Ho  Ho2  9  0.0005  0.5003  0.5001  1
  Ho  Ho3  3  0.0000  0.0000  0.6252  1
  S  S4  9  0.0209  0.5105  0.7535  1
  S  S5  9  0.1758  0.3516  0.5802  1
  S  S6  3  0.0000  0.0000  0.2412  1
  S  S7  3  0.0000  0.0000  0.7576  1
]