data_NdAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   106.42
_cell_angle_beta   106.42
_cell_angle_gamma   115.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdAsO4
_chemical_formula_sum   'Nd2 As2 O8'
_cell_volume   177.0
_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  0.0  0.0  0.27  1.0
  Nd  Nd1  1  0.68  0.0  0.63  1.0
  As  As2  1  0.0  0.68  0.63  1.0
  As  As3  1  0.0  0.0  0.0  1.0
  O  O4  1  0.0  0.36  0.74  1.0
  O  O5  1  0.36  0.0  0.79  1.0
  O  O6  1  0.32  0.68  0.53  1.0
  O  O7  1  0.68  0.32  0.47  1.0
  O  O8  1  0.68  0.36  0.16  1.0
  O  O9  1  0.32  0.0  0.11  1.0
  O  O10  1  0.04  0.0  0.11  1.0
  O  O11  1  0.68  0.64  0.16  1.0

data_NdAsO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   106.42
_cell_angle_beta   106.42
_cell_angle_gamma   115.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdAsO4
_chemical_formula_sum   'Nd2 As2 O8'
_cell_volume   177.0
_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  0.27  0.27  0.27  1.0
  Nd  Nd1  1  0.95  0.63  0.63  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.63  0.95  0.63  1.0
  O  O4  1  0.06  0.11  0.11  1.0
  O  O5  1  0.21  0.85  0.53  1.0
  O  O6  1  0.43  0.79  0.79  1.0
  O  O7  1  0.48  0.52  0.16  1.0
  O  O8  1  0.48  0.8  0.16  1.0
  O  O9  1  0.74  0.38  0.74  1.0
  O  O10  1  0.79  0.11  0.11  1.0
  O  O11  1  0.79  0.16  0.47  1.0

Nd Nd As As O O O O O O O O
Nd Nd As As O O O O O O O O 0 10 o o o 0 11 - - o 1 6 o - o 1 4 + o o 2 7 - o o 2 4 o o o 2 5 o + o 2 6 o o o 3 10 o o o 3 9 o o o 4 7 - o o 5 9 o o + 5 6 o - o 5 8 o o + 7 9 o o o 7 8 o o o 8 11 o o o 9 10 o o o 