data_NdTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.66
_cell_length_c   5.47
_cell_angle_alpha   90.0
_cell_angle_beta   96.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTaO4
_chemical_formula_sum   'Nd2 Ta2 O8'
_cell_volume   162.54
_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  Nd8  1  0.51  0.33  0.07  1.0
  Nd  Nd9  1  0.84  0.33  0.36  1.0
  Ta  Ta10  1  0.48  0.78  0.36  1.0
  Ta  Ta11  1  0.15  0.89  0.07  1.0
  O  O0  1  0.82  0.48  0.04  1.0
  O  O1  1  0.13  0.48  0.68  1.0
  O  O2  1  0.81  0.19  0.39  1.0
  O  O3  1  0.5  0.19  0.76  1.0
  O  O4  1  0.95  0.13  0.32  1.0
  O  O5  1  0.35  0.13  0.83  1.0
  O  O6  1  0.68  0.54  0.11  1.0
  O  O7  1  0.28  0.54  0.6  1.0

data_NdTaO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.28
_cell_length_b   5.47
_cell_length_c   5.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTaO4
_chemical_formula_sum   'Nd2 Ta2 O8'
_cell_volume   162.54
_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  1  0.16  0.64  0.67  1.0
  Nd  Nd1  1  0.49  0.93  0.67  1.0
  Ta  Ta2  1  0.52  0.64  0.22  1.0
  Ta  Ta3  1  0.85  0.93  0.11  1.0
  O  O4  1  0.05  0.68  0.87  1.0
  O  O5  1  0.18  0.96  0.52  1.0
  O  O6  1  0.19  0.61  0.81  1.0
  O  O7  1  0.32  0.89  0.46  1.0
  O  O8  1  0.5  0.24  0.81  1.0
  O  O9  1  0.65  0.17  0.87  1.0
  O  O10  1  0.72  0.4  0.46  1.0
  O  O11  1  0.87  0.32  0.52  1.0

Nd Nd Ta Ta O O O O O O O O