data_[Pr4I11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [10.2308]
_cell_length_b [10.2308]
_cell_length_c [18.6158]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Pr4I11]
_chemical_formula_sum '[Pr4 I11]'
_cell_volume [1687.4649]
_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
[
  Pr  Pr0  3  0.0000  0.4871  0.4937  1
  Pr  Pr1  1  0.0000  0.0000  0.5073  1
  I  I2  6  0.1985  0.7940  0.5869  1
  I  I3  3  0.0000  0.2294  0.3927  1
  I  I4  2  0.3333  0.6667  0.4060  1
]