data_[Na4Zr2Ta2O12]
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
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6650]
_cell_length_b [5.7408]
_cell_length_c [9.8541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2ZrTaO6]
_chemical_formula_sum '[Na4 Zr2 Ta2 O12]'
_cell_volume [262.3161]
_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  0.2460  0.5193  0.7503  1
  Zr  Zr1  2  0.5000  0.0000  0.0000  1
  Ta  Ta2  2  0.0000  0.0000  0.5000  1
  O  O3  4  0.1747  0.7237  0.4662  1
  O  O4  4  0.2439  0.2097  0.4672  1
  O  O5  4  0.3081  0.5135  0.2428  1
]