data_[Pr8Ni2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2011]
_cell_length_b [19.2331]
_cell_length_c [9.1788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Pr4NiI5]
_chemical_formula_sum '[Pr8 Ni2 I10]'
_cell_volume [741.6449]
_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
[
  Pr  Pr0  4  0.0000  0.1474  0.1298  1
  Pr  Pr1  2  0.0000  0.5000  0.0777  1
  Pr  Pr2  2  0.0000  0.5000  0.6665  1
  Ni  Ni3  2  0.0000  0.0000  0.1262  1
  I  I4  4  0.0000  0.3264  0.1392  1
  I  I5  4  0.0000  0.3313  0.6074  1
  I  I6  2  0.0000  0.0000  0.6294  1
]