data_[Tb4Ho6Tm2S12]
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 [16.9884]
_cell_length_b [3.8798]
_cell_length_c [7.7945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4849]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2Ho3TmS6]
_chemical_formula_sum '[Tb4 Ho6 Tm2 S12]'
_cell_volume [499.5788]
_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  0.1675  0.0000  0.3351  1.0
  Ho  Ho1  4  0.1680  0.0000  0.8325  1.0
  Ho  Ho2  2  0.0000  0.5000  0.5000  1.0
  Tm  Tm3  2  0.0000  0.5000  0.0000  1.0
  S  S4  4  0.0013  0.0000  0.7538  1.0
  S  S5  4  0.1650  0.5000  0.0795  1.0
  S  S6  4  0.1654  0.5000  0.5855  1.0
]