data_[Rb4Ba4Gd4Se12]
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
  Gd  1.2000  1.8000  1.0750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.1632]
_cell_length_b [4.3692]
_cell_length_c [14.1412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbBaGdSe3]
_chemical_formula_sum '[Rb4 Ba4 Gd4 Se12]'
_cell_volume [813.2926]
_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  0.1178  0.7500  0.4290  1
  Ba  Ba1  4  0.1280  0.7500  0.0837  1
  Gd  Gd2  4  0.1475  0.7500  0.7561  1
  Se  Se3  4  0.1216  0.2500  0.9004  1
  Se  Se4  4  0.1289  0.2500  0.6250  1
  Se  Se5  4  0.1399  0.2500  0.2478  1
]