data_[Na2Sb2Te2]
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 [P1]
_cell_length_a [4.4665]
_cell_length_b [4.6932]
_cell_length_c [9.4372]
_cell_angle_alpha [92.4577]
_cell_angle_beta [93.7907]
_cell_angle_gamma [90.2379]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaSbTe]
_chemical_formula_sum '[Na2 Sb2 Te2]'
_cell_volume [197.2042]
_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  1  0.3991  0.1942  0.1889  1.0
  Na  Na1  1  0.7507  0.8357  0.5064  1.0
  Sb  Sb2  1  0.4174  0.2976  0.8214  1.0
  Sb  Sb3  1  0.9273  0.7023  0.8652  1.0
  Te  Te4  1  0.2532  0.3371  0.5295  1.0
  Te  Te5  1  0.9000  0.6924  0.1614  1.0
]