data_[La9Ho3Sc9Se24]
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
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0684]
_cell_length_b [8.0684]
_cell_length_c [20.5567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La3HoSc3Se8]
_chemical_formula_sum '[La9 Ho3 Sc9 Se24]'
_cell_volume [1158.9460]
_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  9  0.0000  0.5000  0.5000  1.0
  Ho  Ho1  3  0.0000  0.0000  0.0000  1.0
  Sc  Sc2  9  0.0000  0.5000  0.0000  1.0
  Se  Se3  18  0.0153  0.5076  0.2573  1.0
  Se  Se4  6  0.0000  0.0000  0.2610  1.0
]