data_[Na8Zr4Te4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0839]
_cell_length_b [12.5549]
_cell_length_c [7.4921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2ZrTeSe2]
_chemical_formula_sum '[Na8 Zr4 Te4 Se8]'
_cell_volume [629.4355]
_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  0.1661  0.0000  1
  Na  Na1  2  0.0000  0.0000  0.5000  1
  Na  Na2  2  0.0000  0.5000  0.0000  1
  Zr  Zr3  4  0.0000  0.3175  0.5000  1
  Te  Te4  4  0.2219  0.5000  0.7288  1
  Se  Se5  8  0.2408  0.3197  0.2780  1
]