data_[La2Pr2I10]
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 [P2_1/m]
_cell_length_a [9.3719]
_cell_length_b [4.3557]
_cell_length_c [15.0947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaPrI5]
_chemical_formula_sum '[La2 Pr2 I10]'
_cell_volume [614.3579]
_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  2  0.0997  0.2500  0.1510  1
  Pr  Pr1  2  0.4159  0.7500  0.3438  1
  I  I2  2  0.0660  0.7500  0.3091  1
  I  I3  2  0.1392  0.2500  0.9297  1
  I  I4  2  0.3183  0.2500  0.4857  1
  I  I5  2  0.3502  0.7500  0.1276  1
  I  I6  2  0.3621  0.7500  0.7140  1
]