data_[La2Ag4I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4312]
_cell_length_b [5.4400]
_cell_length_c [10.2977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3540]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(AgI3)2]
_chemical_formula_sum '[La2 Ag4 I12]'
_cell_volume [775.7222]
_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  0.0000  0.0000  0.5000  1
  Ag  Ag1  4  0.2073  0.0000  0.1460  1
  I  I2  4  0.0276  0.0000  0.2137  1
  I  I3  4  0.1413  0.5000  0.5787  1
  I  I4  4  0.2023  0.5000  0.0783  1
]