data_[Mg2Ga2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3818]
_cell_length_b [7.7208]
_cell_length_c [8.7656]
_cell_angle_alpha [92.1397]
_cell_angle_beta [101.8208]
_cell_angle_gamma [108.3436]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [MgGaI3]
_chemical_formula_sum '[Mg2 Ga2 I6]'
_cell_volume [461.3436]
_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
[
  Mg  Mg0  2  0.3025  0.0493  0.0853  1
  Ga  Ga1  2  0.2432  0.0542  0.5724  1
  I  I2  2  0.0162  0.1846  0.1658  1
  I  I3  2  0.4322  0.7608  0.6204  1
  I  I4  2  0.4648  0.7499  0.1129  1
]