data_[Na6Fe2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.8949]
_cell_length_b [7.8474]
_cell_length_c [19.8782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na3FeTe3]
_chemical_formula_sum '[Na6 Fe2 Te6]'
_cell_volume [1387.5336]
_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
[
  Na  Na0  4  0.4781  0.2484  0.4396  1
  Na  Na1  2  0.4830  0.5000  0.6187  1
  Fe  Fe2  2  0.2296  0.0000  0.4996  1
  Te  Te3  4  0.2186  0.2698  0.5646  1
  Te  Te4  2  0.2290  0.0000  0.3733  1
]