data_[Nd2Zr2Ti4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.1495]
_cell_length_b [5.1495]
_cell_length_c [11.0772]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [NdZrTi2O8]
_chemical_formula_sum '[Nd2 Zr2 Ti4 O16]'
_cell_volume [293.7355]
_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
[
  Nd  Nd0  2  0.0000  0.5000  0.7500  1.0
  Zr  Zr1  2  0.0000  0.0000  0.0000  1.0
  Ti  Ti2  2  0.0000  0.0000  0.5000  1.0
  Ti  Ti3  2  0.0000  0.5000  0.2500  1.0
  O  O4  8  0.1513  0.7604  0.1586  1.0
  O  O5  8  0.1833  0.2610  0.5780  1.0
]