data_[La16Ni6Ge2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0454]
_cell_length_b [8.4628]
_cell_length_c [9.4675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.8456]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8Ni3GeI4]
_chemical_formula_sum '[La16 Ni6 Ge2 I8]'
_cell_volume [1024.0112]
_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  0.0184  0.2614  0.3073  1.0
  La  La1  4  0.2342  0.5000  0.6862  1.0
  La  La2  4  0.2364  0.0000  0.6893  1.0
  Ni  Ni3  4  0.2500  0.2500  0.5000  1.0
  Ni  Ni4  2  0.0000  0.5000  0.5000  1.0
  Ge  Ge5  2  0.0000  0.0000  0.5000  1.0
  I  I6  4  0.2500  0.2500  0.0000  1.0
  I  I7  2  0.0000  0.0000  0.0000  1.0
  I  I8  2  0.0000  0.5000  0.0000  1.0
]