data_[Na2Zr2Se4O16]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.0667]
_cell_length_b [7.0667]
_cell_length_c [6.2870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [NaZr(SeO4)2]
_chemical_formula_sum '[Na2 Zr2 Se4 O16]'
_cell_volume [313.9644]
_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  2  0.0000  0.0000  0.0000  1
  Zr  Zr1  2  0.0000  0.5000  0.7500  1
  Se  Se2  2  0.0000  0.0000  0.5000  1
  Se  Se3  2  0.0000  0.5000  0.2500  1
  O  O4  8  0.0000  0.2017  0.6734  1
  O  O5  8  0.0000  0.3226  0.0726  1
]