data_[Hf2Ga2I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [8.1638]
_cell_length_b [6.9226]
_cell_length_c [17.5513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7305]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [HfGaI7]
_chemical_formula_sum '[Hf2 Ga2 I14]'
_cell_volume [977.6477]
_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
[
  Hf  Hf0  2  0.0143  0.0803  0.1607  1
  Ga  Ga1  2  0.2701  0.4873  0.3006  1
  I  I2  2  0.1429  0.1413  0.5585  1
  I  I3  2  0.2606  0.1367  0.7977  1
  I  I4  2  0.3250  0.3275  0.1709  1
  I  I5  2  0.4800  0.3737  0.4136  1
  I  I6  2  0.7607  0.1370  0.6951  1
  I  I7  2  0.8372  0.3267  0.0596  1
  I  I8  2  0.9754  0.3284  0.2991  1
]