data_[Ce10Al4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2239]
_cell_length_b [7.3990]
_cell_length_c [9.0111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6388]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce5(AlSe6)2]
_chemical_formula_sum '[Ce10 Al4 Se24]'
_cell_volume [1036.4067]
_cell_formula_units_Z [2]
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  4  0.1875  0.5000  0.8435  1.0
  Ce  Ce1  4  0.1999  0.5000  0.3511  1.0
  Ce  Ce2  2  0.0000  0.0000  0.5000  1.0
  Al  Al3  4  0.0000  0.2524  0.0000  1.0
  Se  Se4  8  0.1491  0.2498  0.5693  1.0
  Se  Se5  8  0.1665  0.2507  0.0877  1.0
  Se  Se6  4  0.0018  0.0000  0.8101  1.0
  Se  Se7  4  0.0027  0.5000  0.2011  1.0
]