data_[Fe4Te8]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9725]
_cell_length_b [7.0020]
_cell_length_c [7.0220]
_cell_angle_alpha [116.8615]
_cell_angle_beta [105.5192]
_cell_angle_gamma [93.7360]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [FeTe2]
_chemical_formula_sum '[Fe4 Te8]'
_cell_volume [287.6962]
_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
[
  Fe  Fe0  2  0.4872  0.2849  0.2083  1.0
  Fe  Fe1  2  0.4983  0.7168  0.2181  1.0
  Te  Te2  2  0.2233  0.3652  0.9612  1.0
  Te  Te3  2  0.2744  0.3580  0.4803  1.0
  Te  Te4  2  0.2751  0.8829  0.0054  1.0
  Te  Te5  2  0.3160  0.8653  0.5248  1.0
]