data_[La12Cu2Ge4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  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 [7.7195]
_cell_length_b [13.3667]
_cell_length_c [8.0534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6CuGe2I3]
_chemical_formula_sum '[La12 Cu2 Ge4 I6]'
_cell_volume [786.7384]
_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  0.2345  0.1659  0.2069  1.0
  La  La1  4  0.2360  0.5000  0.2105  1.0
  Cu  Cu2  2  0.0000  0.0000  0.0000  1.0
  Ge  Ge3  4  0.0000  0.3338  0.0000  1.0
  I  I4  4  0.0000  0.1708  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]