data_[Na8Zr4O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.0530]
_cell_length_b [9.6350]
_cell_length_c [5.6438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2ZrO3]
_chemical_formula_sum '[Na8 Zr4 O12]'
_cell_volume [301.7775]
_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  0.2603  0.2500  1.0
  Na  Na1  4  0.0000  0.4213  0.7500  1.0
  Zr  Zr2  4  0.0000  0.0900  0.7500  1.0
  O  O3  8  0.2010  0.0686  0.5163  1.0
  O  O4  4  0.2500  0.2500  0.0000  1.0
]