data_[Nd2Ta14O38]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ta  1.5000  1.4500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-6c2]
_cell_length_a [6.2280]
_cell_length_b [6.2280]
_cell_length_c [19.9686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [188]
_chemical_formula_structural [NdTa7O19]
_chemical_formula_sum '[Nd2 Ta14 O38]'
_cell_volume [670.7714]
_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  0.0000  0.0000  1
  Ta  Ta1  12  0.0275  0.3333  0.6558  1
  Ta  Ta2  2  0.3333  0.6667  0.0000  1
  O  O3  12  0.0921  0.3847  0.5563  1
  O  O4  12  0.4187  0.0854  0.1534  1
  O  O5  6  0.0418  0.2840  0.7500  1
  O  O6  4  0.0000  0.0000  0.1298  1
  O  O7  4  0.3333  0.6667  0.1690  1
]