data_[La8I5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [11.3358]
_cell_length_b [11.3358]
_cell_length_c [18.3022]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [La8I5]
_chemical_formula_sum '[La8 I5]'
_cell_volume [2036.7456]
_cell_formula_units_Z [1]
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  6  0.1809  0.3617  0.4763  1
  La  La1  2  0.3333  0.6667  0.5779  1
  I  I2  3  0.0000  0.5000  0.5638  1
  I  I3  2  0.3333  0.6667  0.3975  1
]