data_[Fe9Te9]
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 [P6mm]
_cell_length_a [8.9572]
_cell_length_b [8.9572]
_cell_length_c [18.9778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [FeTe]
_chemical_formula_sum '[Fe9 Te9]'
_cell_volume [1318.6266]
_cell_formula_units_Z [9]
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  6  0.2444  0.4888  0.5432  1
  Fe  Fe1  3  0.0000  0.5000  0.4749  1
  Te  Te2  6  0.2047  0.4094  0.4097  1
  Te  Te3  3  0.0000  0.5000  0.6193  1
]