data_In3PAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   7.7
_cell_length_c   10.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3PAu3
_chemical_formula_sum   'In6 P2 Au6'
_cell_volume   303.24
_cell_formula_units_Z   2
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
  In  In6  1  0.81  0.67  0.39  1.0
  In  In7  1  0.81  0.03  0.39  1.0
  In  In8  1  0.0  0.52  0.47  1.0
  In  In9  1  0.0  0.18  0.47  1.0
  In  In10  1  0.81  0.0  0.79  1.0
  In  In11  1  0.0  0.85  0.07  1.0
  P  P12  1  0.81  0.85  0.29  1.0
  P  P13  1  0.0  0.0  0.57  1.0
  Au  Au0  1  0.81  0.51  0.45  1.0
  Au  Au1  1  0.81  0.19  0.45  1.0
  Au  Au2  1  0.0  0.36  0.41  1.0
  Au  Au3  1  0.0  0.34  0.41  1.0
  Au  Au4  1  0.81  0.0  0.89  1.0
  Au  Au5  1  0.0  0.85  0.97  1.0

data_In3PAu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   7.7
_cell_length_c   10.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In3PAu3
_chemical_formula_sum   'In6 P2 Au6'
_cell_volume   303.24
_cell_formula_units_Z   2
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
  In  In0  1  0.0  0.18  0.47  1.0
  In  In1  1  0.0  0.52  0.47  1.0
  In  In2  1  0.0  0.85  0.07  1.0
  In  In3  1  0.81  0.0  0.79  1.0
  In  In4  1  0.81  0.03  0.39  1.0
  In  In5  1  0.81  0.67  0.39  1.0
  P  P6  1  0.0  0.0  0.57  1.0
  P  P7  1  0.81  0.85  0.29  1.0
  Au  Au8  1  0.0  0.34  0.41  1.0
  Au  Au9  1  0.0  0.36  0.41  1.0
  Au  Au10  1  0.0  0.85  0.97  1.0
  Au  Au11  1  0.81  0.0  0.89  1.0
  Au  Au12  1  0.81  0.19  0.45  1.0
  Au  Au13  1  0.81  0.51  0.45  1.0

In In In In In In P P Au Au Au Au Au Au
In In In In In In P P Au Au Au Au Au Au 0 2 + o o 0 8 o o o 0 6 o o o 1 3 + o o 1 9 o o o 1 6 o - o 1 7 + o o 2 8 - o o 3 9 - o o 3 7 o o o 4 12 o o o 5 13 o o - 7 9 - o o 10 11 o o o 