data_[Ga4Sn4I4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
  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 [12.6963]
_cell_length_b [9.2540]
_cell_length_c [10.4099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6817]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [GaSnICl4]
_chemical_formula_sum '[Ga4 Sn4 I4 Cl16]'
_cell_volume [1083.0785]
_cell_formula_units_Z [4]
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  4  0.1534  0.5000  0.3401  1.0
  Sn  Sn1  4  0.0737  0.0000  0.2357  1.0
  I  I2  4  0.1750  0.0000  0.0337  1.0
  Cl  Cl3  8  0.0434  0.3144  0.2108  1.0
  Cl  Cl4  4  0.1625  0.5000  0.5578  1.0
  Cl  Cl5  4  0.1654  0.0000  0.6310  1.0
]