data_[La16Ga2Ni6I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2570]
_cell_length_b [8.3907]
_cell_length_c [9.5407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3888]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8GaNi3I4]
_chemical_formula_sum '[La16 Ga2 Ni6 I8]'
_cell_volume [1031.3626]
_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
[
  La  La0  8  0.0164  0.2651  0.3071  1
  La  La1  4  0.2378  0.0000  0.6889  1
  La  La2  4  0.2387  0.5000  0.6888  1
  Ga  Ga3  2  0.0000  0.0000  0.5000  1
  Ni  Ni4  4  0.2500  0.2500  0.5000  1
  Ni  Ni5  2  0.0000  0.5000  0.5000  1
  I  I6  4  0.2500  0.2500  0.0000  1
  I  I7  2  0.0000  0.0000  0.0000  1
  I  I8  2  0.0000  0.5000  0.0000  1
]