data_[Li2Pr2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1138]
_cell_length_b [4.0040]
_cell_length_c [11.2841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiPrI3]
_chemical_formula_sum '[Li2 Pr2 I6]'
_cell_volume [347.2635]
_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
[
  Li  Li0  2  0.3059  0.2500  0.3247  1.0
  Pr  Pr1  2  0.2918  0.7500  0.8195  1.0
  I  I2  2  0.0404  0.7500  0.3111  1.0
  I  I3  2  0.2842  0.2500  0.0465  1.0
  I  I4  2  0.4167  0.2500  0.6310  1.0
]