data_[Nd4Zr4O14]
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 [C2/m]
_cell_length_a [7.1476]
_cell_length_b [9.9391]
_cell_length_c [5.6878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5989]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd2Zr2O7]
_chemical_formula_sum '[Nd4 Zr4 O14]'
_cell_volume [397.1705]
_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  4  0.0000  0.3091  0.0000  1.0
  Zr  Zr1  4  0.2458  0.5000  0.6005  1.0
  O  O2  8  0.2315  0.1678  0.2018  1.0
  O  O3  4  0.0585  0.5000  0.2760  1.0
  O  O4  2  0.0000  0.0000  0.5000  1.0
]