data_[Na6Nd4As6]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.4305]
_cell_length_b [5.3233]
_cell_length_c [19.2009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Na3Nd2As3]
_chemical_formula_sum '[Na6 Nd4 As6]'
_cell_volume [1679.3834]
_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
[
  Na  Na0  2  0.0492  0.5000  0.4303  1
  Na  Na1  2  0.3837  0.5000  0.3860  1
  Na  Na2  2  0.4832  0.0000  0.5841  1
  Nd  Nd3  2  0.1823  0.0000  0.4929  1
  Nd  Nd4  2  0.3386  0.5000  0.5617  1
  As  As5  2  0.0033  0.0000  0.4985  1
  As  As6  2  0.2262  0.5000  0.4416  1
  As  As7  2  0.2985  0.0000  0.6048  1
]