data_[Nd4Hf2V2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6125]
_cell_length_b [5.8838]
_cell_length_c [9.7739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1744]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2HfVO6]
_chemical_formula_sum '[Nd4 Hf2 V2 O12]'
_cell_volume [267.0312]
_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  0.2704  0.5596  0.7523  1.0
  Hf  Hf1  2  0.0000  0.0000  0.5000  1.0
  V  V2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1291  0.5460  0.2444  1.0
  O  O4  4  0.2532  0.2072  0.0633  1.0
  O  O5  4  0.3541  0.6920  0.0550  1.0
]