data_[Ce12Sc9Pa3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  Pa  1.5000  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.0828]
_cell_length_b [8.0828]
_cell_length_c [20.1104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ce4Sc3PaSe8]
_chemical_formula_sum '[Ce12 Sc9 Pa3 Se24]'
_cell_volume [1137.8227]
_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
  Ce  Ce1  3  -0.0000  -0.0000  0.5000  1
  Sc  Sc2  9  0.0000  0.5000  0.0000  1
  Pa  Pa3  3  -0.0000  -0.0000  0.0000  1
  Se  Se4  18  0.0092  0.5046  0.2568  1
  Se  Se5  6  0.0000  0.0000  0.2586  1
]