data_[Nd8Zr8O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [7.5667]
_cell_length_b [7.5667]
_cell_length_c [10.8442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [NdZrO3]
_chemical_formula_sum '[Nd8 Zr8 O24]'
_cell_volume [620.8864]
_cell_formula_units_Z [8]
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  8  0.0000  0.2411  0.1337  1.0
  Zr  Zr1  8  0.0000  0.2551  0.6296  1.0
  O  O2  8  0.2075  0.2075  0.5000  1.0
  O  O3  8  0.2214  0.2786  0.7500  1.0
  O  O4  4  0.0000  0.0000  0.2844  1.0
  O  O5  2  0.0000  0.0000  0.0000  1.0
  O  O6  2  0.0000  0.5000  0.2500  1.0
]