data_[Fe4Te2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8562]
_cell_length_b [10.7760]
_cell_length_c [8.4399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2TeI8]
_chemical_formula_sum '[Fe4 Te2 I16]'
_cell_volume [1168.0331]
_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
[
  Fe  Fe0  4  0.2019  0.0000  0.3091  1.0
  Te  Te1  2  0.0000  0.0000  0.0000  1.0
  I  I2  8  0.0746  0.1865  0.2388  1.0
  I  I3  4  0.1479  0.5000  0.8677  1.0
  I  I4  4  0.2499  0.5000  0.4015  1.0
]