data_[Tb4Ho2Tm6S12]
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
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9354]
_cell_length_b [3.8620]
_cell_length_c [7.7692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Ho(TmS2)3]
_chemical_formula_sum '[Tb4 Ho2 Tm6 S12]'
_cell_volume [493.5164]
_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  0.1671  0.0000  0.3342  1.0
  Ho  Ho1  2  0.0000  0.5000  0.0000  1.0
  Tm  Tm2  4  0.1673  0.0000  0.8328  1.0
  Tm  Tm3  2  0.0000  0.5000  0.5000  1.0
  S  S4  4  0.0020  0.0000  0.7483  1.0
  S  S5  4  0.1647  0.5000  0.5879  1.0
  S  S6  4  0.1672  0.5000  0.0778  1.0
]