data_[La4Pr4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4530]
_cell_length_b [13.6465]
_cell_length_c [8.3519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Pr2I7]
_chemical_formula_sum '[La4 Pr4 I14]'
_cell_volume [1076.8570]
_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
[
  La  La0  4  0.0000  0.3560  0.5000  1
  Pr  Pr1  4  0.1906  0.5000  0.8614  1
  I  I2  8  0.2172  0.2014  0.2811  1
  I  I3  4  0.1408  0.5000  0.2411  1
  I  I4  2  0.0000  0.0000  0.0000  1
]