data_[Na4Sb4Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.9334]
_cell_length_b [4.4030]
_cell_length_c [9.7308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6823]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaSbTe]
_chemical_formula_sum '[Na4 Sb4 Te4]'
_cell_volume [441.0745]
_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
[
  Na  Na0  4  0.0943  0.4599  0.8902  1
  Sb  Sb1  4  0.1875  0.5950  0.5497  1
  Te  Te2  4  0.1367  0.9742  0.1656  1
]