data_[Na1Nd1As2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1341]
_cell_length_b [5.9936]
_cell_length_c [6.0787]
_cell_angle_alpha [104.2083]
_cell_angle_beta [97.9860]
_cell_angle_gamma [96.8595]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaNdAs2O7]
_chemical_formula_sum '[Na1 Nd1 As2 O7]'
_cell_volume [177.2616]
_cell_formula_units_Z [1]
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
[
  Na  Na0  1  0.4257  0.2642  0.7803  1.0
  Nd  Nd1  1  0.5029  0.6339  0.3678  1.0
  As  As2  1  0.0907  0.7544  0.8280  1.0
  As  As3  1  0.9235  0.1662  0.2401  1.0
  O  O4  1  0.0418  0.0416  0.9788  1.0
  O  O5  1  0.2041  0.3212  0.4223  1.0
  O  O6  1  0.2522  0.6184  0.0075  1.0
  O  O7  1  0.2874  0.8446  0.6518  1.0
  O  O8  1  0.7079  0.3357  0.1539  1.0
  O  O9  1  0.7751  0.9554  0.3422  1.0
  O  O10  1  0.7887  0.5977  0.6939  1.0
]