data_[Al2Ni2I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [7.2134]
_cell_length_b [7.0166]
_cell_length_c [15.9176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [AlNiI7]
_chemical_formula_sum '[Al2 Ni2 I14]'
_cell_volume [786.5674]
_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
[
  Al  Al0  2  0.7052  0.4984  0.8426  1
  Ni  Ni1  2  0.9943  0.1446  0.9934  1
  I  I2  2  0.0360  0.3416  0.8539  1
  I  I3  2  0.2195  0.3221  0.1185  1
  I  I4  2  0.2476  0.0802  0.4704  1
  I  I5  2  0.4773  0.3466  0.7110  1
  I  I6  2  0.6612  0.1492  0.3321  1
  I  I7  2  0.6758  0.3447  0.9876  1
  I  I8  2  0.9210  0.0678  0.6060  1
]