data_[Rb12Ce4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6610]
_cell_length_b [14.9033]
_cell_length_c [8.6033]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3CeSe3]
_chemical_formula_sum '[Rb12 Ce4 Se12]'
_cell_volume [1224.9565]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  4  0.0000  0.1813  0.5000  1.0
  Rb  Rb1  4  0.0000  0.2461  0.0000  1.0
  Rb  Rb2  4  0.1210  0.5000  0.3695  1.0
  Ce  Ce3  4  0.1892  0.0000  0.1375  1.0
  Se  Se4  8  0.1803  0.3488  0.7245  1.0
  Se  Se5  4  0.0929  0.0000  0.8013  1.0
]