data_[Ce9Ho3Th12Se24]
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
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2621]
_cell_length_b [8.2621]
_cell_length_c [20.9891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce3Ho(ThSe2)4]
_chemical_formula_sum '[Ce9 Ho3 Th12 Se24]'
_cell_volume [1240.8001]
_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  9  0.0000  0.5000  0.5000  1
  Ho  Ho1  3  0.0000  0.0000  0.5000  1
  Th  Th2  9  0.0000  0.5000  0.0000  1
  Th  Th3  3  -0.0000  -0.0000  0.0000  1
  Se  Se4  18  0.0061  0.5031  0.2473  1
  Se  Se5  6  0.0000  0.0000  0.2487  1
]