data_As2PAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   151.88
_cell_angle_beta   133.76
_cell_angle_gamma   55.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2PAu
_chemical_formula_sum   'As2 P1 Au1'
_cell_volume   73.63
_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  0.36  0.06  1.0
  As  As1  1  0.0  0.0  0.51  1.0
  P  P3  1  0.0  0.0  0.17  1.0
  Au  Au2  1  0.0  0.36  0.27  1.0

data_As2PAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.72
_cell_length_c   6.01
_cell_angle_alpha   113.12
_cell_angle_beta   104.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   As2PAu
_chemical_formula_sum   'As2 P1 Au1'
_cell_volume   73.63
_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  0.49  0.49  0.49  1.0
  As  As1  1  0.94  0.3  0.3  1.0
  P  P2  1  0.83  0.83  0.83  1.0
  Au  Au3  1  0.73  0.1  0.1  1.0

As As P Au