data_AsPPd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.35
_cell_length_c   2.93
_cell_angle_alpha   76.93
_cell_angle_beta   76.39
_cell_angle_gamma   26.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsPPd
_chemical_formula_sum   'As1 P1 Pd1'
_cell_volume   51.64
_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
  As  As0  1  0.05  0.1  0.8  1.0
  P  P1  1  0.05  0.1  0.39  1.0
  Pd  Pd2  1  0.05  0.1  0.84  1.0

data_AsPPd
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   2.93
_cell_length_b   12.01
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   AsPPd
_chemical_formula_sum   'As2 P2 Pd2'
_cell_volume   103.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  2  0.0  0.5  0.85  1.0
  P  P1  2  0.0  0.5  0.44  1.0
  Pd  Pd2  2  0.0  0.5  0.89  1.0

As P Pd