data_[La12As2Pd4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6041]
_cell_length_b [13.1717]
_cell_length_c [8.2429]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6AsPd2I3]
_chemical_formula_sum '[La12 As2 Pd4 I6]'
_cell_volume [785.4948]
_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  8  0.2385  0.1691  0.2032  1.0
  La  La1  4  0.2281  0.5000  0.2016  1.0
  As  As2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  4  0.0000  0.3322  0.0000  1.0
  I  I4  4  0.0000  0.1620  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]