data_[La3Ho3Tm6S18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [R3]
_cell_length_a [6.9563]
_cell_length_b [6.9563]
_cell_length_c [18.3832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LaHo(TmS3)2]
_chemical_formula_sum '[La3 Ho3 Tm6 S18]'
_cell_volume [770.3947]
_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
[
  La  La0  3  0.0000  0.0000  0.1942  1.0
  Ho  Ho1  3  0.0000  0.0000  0.6845  1.0
  Tm  Tm2  3  0.0000  0.0000  0.4822  1.0
  Tm  Tm3  3  0.0000  0.0000  0.9872  1.0
  S  S4  9  0.0086  0.3091  0.0815  1.0
  S  S5  9  0.0254  0.6315  0.2487  1.0
]