data_Na3As5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.8
_cell_length_b   8.8
_cell_length_c   5.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3As5
_chemical_formula_sum   'Na6 As10'
_cell_volume   380.96
_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  Na10  1  0.2  0.12  0.26  1.0
  Na  Na11  1  0.4  0.5  0.42  1.0
  Na  Na12  1  0.6  0.5  0.26  1.0
  Na  Na13  1  0.6  0.0  0.26  1.0
  Na  Na14  1  0.2  0.0  0.42  1.0
  Na  Na15  1  0.8  0.12  0.42  1.0
  As  As0  1  0.4  0.54  0.84  1.0
  As  As1  1  0.0  0.08  0.0  1.0
  As  As2  1  0.0  0.08  0.84  1.0
  As  As3  1  0.4  0.54  0.0  1.0
  As  As4  1  0.31  0.39  0.26  1.0
  As  As5  1  0.29  0.23  0.42  1.0
  As  As6  1  0.71  0.23  0.26  1.0
  As  As7  1  0.38  0.0  0.26  1.0
  As  As8  1  0.43  0.0  0.42  1.0
  As  As9  1  0.69  0.39  0.42  1.0

data_Na3As5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.68
_cell_length_b   8.8
_cell_length_c   8.8
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3As5
_chemical_formula_sum   'Na6 As10'
_cell_volume   380.96
_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  1  0.26  0.2  0.12  1.0
  Na  Na1  1  0.26  0.6  0.5  1.0
  Na  Na2  1  0.26  0.6  0.0  1.0
  Na  Na3  1  0.42  0.2  0.0  1.0
  Na  Na4  1  0.42  0.4  0.5  1.0
  Na  Na5  1  0.42  0.8  0.12  1.0
  As  As6  1  -0.0  0.4  0.54  1.0
  As  As7  1  -0.0  0.0  0.08  1.0
  As  As8  1  0.26  0.31  0.39  1.0
  As  As9  1  0.26  0.38  0.0  1.0
  As  As10  1  0.26  0.71  0.23  1.0
  As  As11  1  0.42  0.29  0.23  1.0
  As  As12  1  0.42  0.43  0.0  1.0
  As  As13  1  0.42  0.69  0.39  1.0
  As  As14  1  0.84  0.0  0.08  1.0
  As  As15  1  0.84  0.4  0.54  1.0

Na Na Na Na Na Na As As As As As As As As As As
Na Na Na Na Na Na As As As As As As As As As As 0 4 o o o 0 11 o o o 1 10 o o o 1 2 o o o 2 10 o o o 2 15 o o o 3 14 o o o 3 13 o o o 3 12 o o o 3 5 o o o 5 12 o o o 6 9 o o + 7 8 o o - 10 11 o o o 12 15 o o o 13 14 o o o 