data_[Cs1Pr1Ag1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pr  1.1300  1.8500  1.0600
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.6359]
_cell_length_b [7.7996]
_cell_length_c [8.4187]
_cell_angle_alpha [93.5113]
_cell_angle_beta [97.9307]
_cell_angle_gamma [110.6434]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CsPrAgI6]
_chemical_formula_sum '[Cs1 Pr1 Ag1 I6]'
_cell_volume [461.4352]
_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  0.9332  0.0368  0.0205  1
  Pr  Pr1  1  0.3301  0.6839  0.5261  1
  Ag  Ag2  1  0.7191  0.3759  0.4550  1
  I  I3  1  0.0349  0.3364  0.6479  1
  I  I4  1  0.3618  0.9716  0.7993  1
  I  I5  1  0.4199  0.4294  0.2533  1
  I  I6  1  0.5716  0.9895  0.3281  1
  I  I7  1  0.6457  0.5762  0.7268  1
  I  I8  1  0.9834  0.6000  0.2430  1
]