data_[Cs4Ba2Pm2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  Pm  1.1300  1.8500  1.1100
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [8.9101]
_cell_length_b [13.0260]
_cell_length_c [9.5779]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Cs2BaPmI6]
_chemical_formula_sum '[Cs4 Ba2 Pm2 I12]'
_cell_volume [1111.6409]
_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
[
  Cs  Cs0  4  0.0000  0.2908  0.8007  1
  Ba  Ba1  2  0.0000  0.5000  0.2816  1
  Pm  Pm2  2  0.0000  0.0000  0.2216  1
  I  I3  4  0.0000  0.2411  0.2238  1
  I  I4  4  0.2421  0.0000  0.9834  1
  I  I5  4  0.2458  0.5000  0.5531  1
]