data_[Ho9Ti3In9Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Ti  1.5400  1.4000  0.8517
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0434]
_cell_length_b [8.0434]
_cell_length_c [23.0780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ho3TiIn3Se8]
_chemical_formula_sum '[Ho9 Ti3 In9 Se24]'
_cell_volume [1293.0154]
_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
[
  Ho  Ho0  9  0.0000  0.5000  0.0000  1.0
  Ti  Ti1  3  0.0000  0.0000  0.0000  1.0
  In  In2  9  0.0000  0.5000  0.5000  1.0
  Se  Se3  18  0.0255  0.5128  0.7334  1.0
  Se  Se4  6  0.0000  0.0000  0.2628  1.0
]