data_[Cs1Pm1Au2I6]
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
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.7460]
_cell_length_b [7.7729]
_cell_length_c [8.3010]
_cell_angle_alpha [100.7415]
_cell_angle_beta [102.4074]
_cell_angle_gamma [93.9201]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsPm(AuI3)2]
_chemical_formula_sum '[Cs1 Pm1 Au2 I6]'
_cell_volume [476.5010]
_cell_formula_units_Z [1]
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  1  0.5884  0.5897  0.5552  1
  Pm  Pm1  1  0.0023  0.0362  0.9938  1
  Au  Au2  1  0.2013  0.5690  0.8536  1
  Au  Au3  1  0.6419  0.0869  0.2605  1
  I  I4  1  0.1151  0.8046  0.6746  1
  I  I5  1  0.3232  0.3331  0.0179  1
  I  I6  1  0.3355  0.9171  0.2493  1
  I  I7  1  0.7188  0.1388  0.7364  1
  I  I8  1  0.8015  0.7173  0.0489  1
  I  I9  1  0.9349  0.2953  0.3074  1
]