data_[Zr2Ga4I8Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1107]
_cell_length_b [8.2488]
_cell_length_c [7.0953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6104]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrGa2(I2Cl)2]
_chemical_formula_sum '[Zr2 Ga4 I8 Cl4]'
_cell_volume [762.3952]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.5000  1
  Ga  Ga1  4  0.2428  0.0000  0.2839  1
  I  I2  8  0.0888  0.2468  0.3261  1
  Cl  Cl3  4  0.1573  0.0000  0.8130  1
]