data_NaNbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.93
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbAs2
_chemical_formula_sum   'Na1 Nb1 As2'
_cell_volume   75.67
_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  Na2  1  0.62  0.0  0.16  1.0
  Nb  Nb3  1  0.59  0.46  0.39  1.0
  As  As0  1  0.62  0.0  0.68  1.0
  As  As1  1  0.05  0.46  0.75  1.0

data_NaNbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.93
_cell_length_c   5.38
_cell_angle_alpha   90.0
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaNbAs2
_chemical_formula_sum   'Na1 Nb1 As2'
_cell_volume   75.67
_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  0.62  0.0  0.16  1.0
  Nb  Nb1  1  0.59  0.46  0.39  1.0
  As  As2  1  0.05  0.46  0.75  1.0
  As  As3  1  0.62  0.0  0.68  1.0

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