data_[La4Zn4I4]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [4.5223]
_cell_length_b [7.6865]
_cell_length_c [12.9705]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaZnI]
_chemical_formula_sum '[La4 Zn4 I4]'
_cell_volume [450.6232]
_cell_formula_units_Z [4]
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  0.0141  0.5000  0.1515  1.0
  Zn  Zn1  4  0.0000  0.1691  0.0000  1.0
  I  I2  4  0.0303  0.0000  0.3268  1.0
]