data_[Na4Zr8Te16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zr  1.3300  1.5500  0.8600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1383]
_cell_length_b [13.6822]
_cell_length_c [14.8344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na(ZrTe2)2]
_chemical_formula_sum '[Na4 Zr8 Te16]'
_cell_volume [839.9483]
_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  0.0000  0.3923  0.2500  1.0
  Zr  Zr1  8  0.0000  0.1330  0.0670  1.0
  Te  Te2  8  0.0000  0.2249  0.6151  1.0
  Te  Te3  4  0.0000  0.0671  0.2500  1.0
  Te  Te4  4  0.0000  0.5000  0.0000  1.0
]