data_[Cs4Pm2In2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pm  1.1300  1.8500  1.1100
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.7636]
_cell_length_b [9.2759]
_cell_length_c [15.3858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3368]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2PmInI6]
_chemical_formula_sum '[Cs4 Pm2 In2 I12]'
_cell_volume [1032.7518]
_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  0.2757  0.0756  0.2496  1
  Pm  Pm1  2  0.0000  0.0000  0.5000  1
  In  In2  2  0.5000  0.0000  0.0000  1
  I  I3  4  0.1473  0.0174  0.7369  1
  I  I4  4  0.2255  0.7163  0.5444  1
  I  I5  4  0.3346  0.1846  0.5440  1
]