data_AsP2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84
_cell_length_b   9.84
_cell_length_c   9.84
_cell_angle_alpha   16.8
_cell_angle_beta   16.8
_cell_angle_gamma   16.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsP2Au
_chemical_formula_sum   'As1 P2 Au1'
_cell_volume   69.31
_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  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.2  1.0
  P  P3  1  0.0  0.0  0.89  1.0
  Au  Au1  1  0.0  0.0  0.54  1.0

data_AsP2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   2.87
_cell_length_c   9.84
_cell_angle_alpha   90.0
_cell_angle_beta   99.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsP2Au
_chemical_formula_sum   'As2 P4 Au2'
_cell_volume   138.61
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  P  P1  2  0.0  0.0  0.11  1.0
  P  P2  2  0.0  0.0  0.8  1.0
  Au  Au3  2  0.0  0.0  0.46  1.0

As P P Au
As P P Au 0 2 o o - 0 1 o o o 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 