data_P3Au4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.02
_cell_length_b   11.02
_cell_length_c   11.02
_cell_angle_alpha   161.65
_cell_angle_beta   161.65
_cell_angle_gamma   26.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Au4
_chemical_formula_sum   'P3 Au4'
_cell_volume   132.65
_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
  P  P4  1  0.0  0.0  0.0  1.0
  P  P5  1  0.0  0.0  0.6  1.0
  P  P6  1  0.0  0.0  0.87  1.0
  Au  Au0  1  0.0  0.0  0.19  1.0
  Au  Au1  1  0.0  0.0  0.28  1.0
  Au  Au2  1  0.0  0.0  0.1  1.0
  Au  Au3  1  0.0  0.0  0.37  1.0

data_P3Au4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   11.02
_cell_angle_alpha   90.0
_cell_angle_beta   103.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   P3Au4
_chemical_formula_sum   'P6 Au8'
_cell_volume   265.31
_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
  P  P0  2  0.0  0.0  0.0  1.0
  P  P1  2  0.1  0.5  0.6  1.0
  P  P2  2  0.37  0.5  0.87  1.0
  Au  Au3  2  0.1  0.0  0.1  1.0
  Au  Au4  2  0.19  0.0  0.19  1.0
  Au  Au5  2  0.28  0.0  0.28  1.0
  Au  Au6  2  0.37  0.0  0.37  1.0

P P P Au Au Au Au