data_AsPd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPd3
_chemical_formula_sum   'As4 Pd12'
_cell_volume   249.83
_cell_formula_units_Z   4
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  0.0  0.59  1.0
  As  As1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.8  0.62  0.89  1.0
  As  As3  1  0.0  0.23  0.3  1.0
  Pd  Pd4  1  0.6  0.43  0.59  1.0
  Pd  Pd5  1  0.6  0.43  0.0  1.0
  Pd  Pd6  1  0.4  0.43  0.59  1.0
  Pd  Pd7  1  0.8  0.0  0.59  1.0
  Pd  Pd8  1  0.8  0.0  0.0  1.0
  Pd  Pd9  1  0.4  0.43  0.0  1.0
  Pd  Pd10  1  0.41  0.05  0.89  1.0
  Pd  Pd11  1  0.39  0.8  0.3  1.0
  Pd  Pd12  1  0.59  0.05  0.89  1.0
  Pd  Pd13  1  0.0  0.6  0.89  1.0
  Pd  Pd14  1  0.8  0.25  0.3  1.0
  Pd  Pd15  1  0.21  0.8  0.3  1.0

data_AsPd3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   9.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPd3
_chemical_formula_sum   'As4 Pd12'
_cell_volume   249.83
_cell_formula_units_Z   4
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  0.0  0.0  1.0
  As  As1  1  0.0  0.0  0.59  1.0
  As  As2  1  0.0  0.23  0.3  1.0
  As  As3  1  0.8  0.62  0.89  1.0
  Pd  Pd4  1  0.0  0.6  0.89  1.0
  Pd  Pd5  1  0.21  0.8  0.3  1.0
  Pd  Pd6  1  0.39  0.8  0.3  1.0
  Pd  Pd7  1  0.4  0.43  0.0  1.0
  Pd  Pd8  1  0.4  0.43  0.59  1.0
  Pd  Pd9  1  0.41  0.05  0.89  1.0
  Pd  Pd10  1  0.59  0.05  0.89  1.0
  Pd  Pd11  1  0.6  0.43  0.0  1.0
  Pd  Pd12  1  0.6  0.43  0.59  1.0
  Pd  Pd13  1  0.8  0.0  0.0  1.0
  Pd  Pd14  1  0.8  0.0  0.59  1.0
  Pd  Pd15  1  0.8  0.25  0.3  1.0

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