data_[La12Zn2Si4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7160]
_cell_length_b [13.3608]
_cell_length_c [8.1186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6ZnSi2I3]
_chemical_formula_sum '[La12 Zn2 Si4 I6]'
_cell_volume [793.8361]
_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  0.2403  0.1710  0.2090  1.0
  La  La1  4  0.2271  0.5000  0.2084  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Si  Si3  4  0.0000  0.3335  0.0000  1.0
  I  I4  4  0.0000  0.1657  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]