data_Na3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   27.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3As
_chemical_formula_sum   'Na3 As1'
_cell_volume   557.84
_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  0.33  0.67  0.03  1.0
  Na  Na1  1  0.0  0.0  0.08  1.0
  Na  Na2  1  0.33  0.67  0.14  1.0
  As  As3  1  0.67  0.33  0.08  1.0

Na Na Na As 0 1 o o o 0 1 o + o 0 1 + + o 0 3 - o o 0 3 o o o 0 3 o + o 0 2 o o o 1 3 - - o 1 3 - o o 1 3 o o o 1 2 - - o 1 2 o - o 1 2 o o o 2 3 - o o 2 3 o o o 2 3 o + o 
data_Na3As
_symmetry_space_group_name_H-M   P-6m2
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   27.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   187
_chemical_formula_structural   Na3As
_chemical_formula_sum   'Na3 As1'
_cell_volume   557.84
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x+y, -x, -z'
  3  '-y, x-y, z'
  4  'x, y, -z'
  5  '-x+y, -x, z'
  6  '-y, x-y, -z'
  7  '-y, -x, -z'
  8  'x, x-y, z'
  9  '-x+y, y, -z'
  10  '-y, -x, z'
  11  'x, x-y, -z'
  12  '-x+y, 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  0.33  0.67  0.94  1.0
  Na  Na1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.67  0.33  0.0  1.0
