data_[Ga4H2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5229]
_cell_length_b [5.1272]
_cell_length_c [17.2169]
_cell_angle_alpha [89.9202]
_cell_angle_beta [83.1107]
_cell_angle_gamma [63.9256]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ga2HI2]
_chemical_formula_sum '[Ga4 H2 I4]'
_cell_volume [355.4416]
_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
[
  Ga  Ga0  2  0.3007  0.8976  0.5005  1
  Ga  Ga1  2  0.3410  0.0351  0.9347  1
  H  H2  2  0.3645  0.2515  0.0144  1
  I  I3  2  0.1658  0.8961  0.1662  1
  I  I4  2  0.4308  0.5258  0.6221  1
]