data_[La12Ge4Pb2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2325]
_cell_length_b [4.5488]
_cell_length_c [9.3255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6041]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ge2PbI3]
_chemical_formula_sum '[La12 Ge4 Pb2 I6]'
_cell_volume [830.5348]
_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  4  0.0150  0.0000  0.2468  1.0
  La  La1  4  0.1653  0.5000  0.1225  1.0
  La  La2  4  0.1773  0.5000  0.5617  1.0
  Ge  Ge3  4  0.1681  0.0000  0.3381  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
  I  I5  4  0.1633  0.0000  0.8346  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]