data_[Ce6Ho3Sc3Se18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [R3]
_cell_length_a [7.2832]
_cell_length_b [7.2832]
_cell_length_c [19.1697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ce2HoScSe6]
_chemical_formula_sum '[Ce6 Ho3 Sc3 Se18]'
_cell_volume [880.6359]
_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
[
  Ce  Ce0  3  0.0000  0.0000  0.0205  1.0
  Ce  Ce1  3  0.0000  0.0000  0.5221  1.0
  Ho  Ho2  3  0.0000  0.0000  0.8191  1.0
  Sc  Sc3  3  0.0000  0.0000  0.3213  1.0
  Se  Se4  9  0.0077  0.3817  0.5810  1.0
  Se  Se5  9  0.0248  0.6371  0.0785  1.0
]