data_As3Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As3Pd
_chemical_formula_sum   'As18 Pd6'
_cell_volume   492.34
_cell_formula_units_Z   6
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
  As  As0  1  0.0  0.02  0.28  1.0
  As  As1  1  0.73  0.82  0.28  1.0
  As  As2  1  0.27  0.82  0.28  1.0
  As  As3  1  0.95  0.81  0.85  1.0
  As  As4  1  0.21  0.01  0.85  1.0
  As  As5  1  0.68  0.01  0.85  1.0
  As  As6  1  0.95  0.73  0.87  1.0
  As  As7  1  0.83  0.05  0.87  1.0
  As  As8  1  0.06  0.05  0.87  1.0
  As  As9  1  0.95  0.73  0.7  1.0
  As  As10  1  0.83  0.05  0.7  1.0
  As  As11  1  0.06  0.05  0.7  1.0
  As  As12  1  0.0  0.11  0.26  1.0
  As  As13  1  0.12  0.78  0.26  1.0
  As  As14  1  0.88  0.78  0.26  1.0
  As  As15  1  0.0  0.11  0.44  1.0
  As  As16  1  0.12  0.78  0.44  1.0
  As  As17  1  0.88  0.78  0.44  1.0
  Pd  Pd18  1  0.0  0.0  0.28  1.0
  Pd  Pd19  1  0.0  0.0  0.85  1.0
  Pd  Pd20  1  0.95  0.28  0.02  1.0
  Pd  Pd21  1  0.95  0.28  0.68  1.0
  Pd  Pd22  1  0.0  0.56  0.46  1.0
  Pd  Pd23  1  0.0  0.56  0.11  1.0

data_As3Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As3Pd
_chemical_formula_sum   'As18 Pd6'
_cell_volume   492.34
_cell_formula_units_Z   6
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
  As  As0  1  -0.0  0.11  0.26  1.0
  As  As1  1  -0.0  0.11  0.44  1.0
  As  As2  1  -0.0  0.02  0.28  1.0
  As  As3  1  0.06  0.05  0.7  1.0
  As  As4  1  0.06  0.05  0.87  1.0
  As  As5  1  0.12  0.78  0.26  1.0
  As  As6  1  0.12  0.78  0.44  1.0
  As  As7  1  0.21  0.01  0.85  1.0
  As  As8  1  0.27  0.82  0.28  1.0
  As  As9  1  0.68  0.01  0.85  1.0
  As  As10  1  0.73  0.82  0.28  1.0
  As  As11  1  0.83  0.05  0.7  1.0
  As  As12  1  0.83  0.05  0.87  1.0
  As  As13  1  0.88  0.78  0.26  1.0
  As  As14  1  0.88  0.78  0.44  1.0
  As  As15  1  0.95  0.73  0.7  1.0
  As  As16  1  0.95  0.73  0.87  1.0
  As  As17  1  0.95  0.81  0.85  1.0
  Pd  Pd18  1  -0.0  0.56  0.11  1.0
  Pd  Pd19  1  -0.0  0.56  0.46  1.0
  Pd  Pd20  1  0.0  0.0  0.28  1.0
  Pd  Pd21  1  0.0  0.0  0.85  1.0
  Pd  Pd22  1  0.95  0.28  0.02  1.0
  Pd  Pd23  1  0.95  0.28  0.68  1.0

As As As As As As As As As As As As As As As As As As Pd Pd Pd Pd Pd Pd