data_[Na4Zn2Si2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.5696]
_cell_length_b [8.7483]
_cell_length_c [7.4298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Na2ZnSiTe4]
_chemical_formula_sum '[Na4 Zn2 Si2 Te8]'
_cell_volume [557.0034]
_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  0.2422  0.3331  0.0038  1.0
  Zn  Zn1  2  0.0000  0.1380  0.5099  1.0
  Si  Si2  2  0.0000  0.8454  0.0006  1.0
  Te  Te3  4  0.2422  0.6876  0.0864  1.0
  Te  Te4  2  0.0000  0.1037  0.1479  1.0
  Te  Te5  2  0.0000  0.8660  0.6612  1.0
]