data_[Rb4Mn4Al4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.5692]
_cell_length_b [3.8858]
_cell_length_c [15.4830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbMnAlSe3]
_chemical_formula_sum '[Rb4 Mn4 Al4 Se12]'
_cell_volume [635.8802]
_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  0.2480  0.7500  0.5036  1
  Mn  Mn1  4  0.2438  0.2500  0.2878  1
  Al  Al2  4  0.0077  0.2500  0.7495  1
  Se  Se3  4  0.0358  0.2500  0.3607  1
  Se  Se4  4  0.0475  0.7500  0.8602  1
  Se  Se5  4  0.2441  0.7500  0.1874  1
]