data_[La8Ni2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.0503]
_cell_length_b [4.2348]
_cell_length_c [9.2840]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La4NiI5]
_chemical_formula_sum '[La8 Ni2 I10]'
_cell_volume [768.1139]
_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  0.0009  0.0000  0.7949  1.0
  La  La1  4  0.1487  0.5000  0.0793  1.0
  Ni  Ni2  2  0.0000  0.5000  0.0000  1.0
  I  I3  4  0.1666  0.0000  0.3516  1.0
  I  I4  4  0.1745  0.0000  0.8222  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]