data_[Ho6Tm18Se36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.8483]
_cell_length_b [11.8483]
_cell_length_c [14.1853]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ho(TmSe2)3]
_chemical_formula_sum '[Ho6 Tm18 Se36]'
_cell_volume [1724.5730]
_cell_formula_units_Z [6]
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
[
  Ho  Ho0  3  0.0000  0.0000  0.0000  1.0
  Ho  Ho1  3  0.0000  0.0000  0.5000  1.0
  Tm  Tm2  18  0.0531  0.2719  0.7016  1.0
  Se  Se3  18  0.0181  0.2127  0.8957  1.0
  Se  Se4  18  0.0322  0.1954  0.3739  1.0
]