data_[Rb4Ba4Ce4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Ce  1.1200  1.8500  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [16.9501]
_cell_length_b [4.4232]
_cell_length_c [11.4241]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbBaCeSe3]
_chemical_formula_sum '[Rb4 Ba4 Ce4 Se12]'
_cell_volume [856.5086]
_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  0.2350  0.2500  0.1488  1
  Ba  Ba1  4  0.1142  0.2500  0.4255  1
  Ce  Ce2  4  0.0675  0.2500  0.8440  1
  Se  Se3  4  0.0475  0.2500  0.1125  1
  Se  Se4  4  0.0728  0.7500  0.6349  1
  Se  Se5  4  0.2434  0.2500  0.8644  1
]