data_Na2NbAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   144.08
_cell_angle_beta   144.08
_cell_angle_gamma   51.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2NbAs
_chemical_formula_sum   'Na2 Nb1 As1'
_cell_volume   80.85
_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  Na1  1  0.91  0.0  0.78  1.0
  Na  Na2  1  0.0  0.91  0.78  1.0
  Nb  Nb3  1  0.0  0.0  0.56  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Na2NbAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   115.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2NbAs
_chemical_formula_sum   'Na4 Nb2 As2'
_cell_volume   161.69
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.33  0.45  0.88  1.0
  Nb  Nb1  2  0.06  0.5  0.56  1.0
  As  As2  2  0.0  0.0  0.0  1.0

Na Na Nb As
Na Na Nb As 0 1 + - o 0 2 + o o 0 3 + o + 1 2 o + o 1 3 o + + 