data_Ga16P7Pt6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   8.87
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga16P7Pt6
_chemical_formula_sum   'Ga16 P7 Pt6'
_cell_volume   494.0
_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
  Ga  Ga0  1  0.77  0.5  0.77  1.0
  Ga  Ga1  1  0.5  0.5  0.5  1.0
  Ga  Ga2  1  0.77  0.77  0.5  1.0
  Ga  Ga3  1  0.5  0.77  0.77  1.0
  Ga  Ga4  1  0.05  0.05  0.05  1.0
  Ga  Ga5  1  0.78  0.05  0.78  1.0
  Ga  Ga6  1  0.78  0.78  0.05  1.0
  Ga  Ga7  1  0.05  0.78  0.78  1.0
  Ga  Ga8  1  0.34  0.21  0.34  1.0
  Ga  Ga9  1  0.21  0.21  0.21  1.0
  Ga  Ga10  1  0.34  0.34  0.21  1.0
  Ga  Ga11  1  0.21  0.34  0.34  1.0
  Ga  Ga12  1  0.34  0.34  0.34  1.0
  Ga  Ga13  1  0.21  0.34  0.21  1.0
  Ga  Ga14  1  0.21  0.21  0.34  1.0
  Ga  Ga15  1  0.34  0.21  0.21  1.0
  P  P16  1  0.0  0.0  0.0  1.0
  P  P17  1  0.14  0.14  0.27  1.0
  P  P18  1  0.14  0.14  0.0  1.0
  P  P19  1  0.27  0.14  0.14  1.0
  P  P20  1  0.0  0.14  0.14  1.0
  P  P21  1  0.14  0.0  0.14  1.0
  P  P22  1  0.14  0.27  0.14  1.0
  Pt  Pt23  1  0.27  0.27  0.71  1.0
  Pt  Pt24  1  0.27  0.27  0.84  1.0
  Pt  Pt25  1  0.71  0.27  0.27  1.0
  Pt  Pt26  1  0.84  0.27  0.27  1.0
  Pt  Pt27  1  0.27  0.84  0.27  1.0
  Pt  Pt28  1  0.27  0.71  0.27  1.0

data_Ga16P7Pt6
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.87
_cell_length_b   8.87
_cell_length_c   21.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ga16P7Pt6
_chemical_formula_sum   'Ga48 P21 Pt18'
_cell_volume   1481.99
_cell_formula_units_Z   3
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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
  Ga  Ga0  9  0.04  0.08  0.75  1.0
  Ga  Ga1  9  0.08  0.04  0.71  1.0
  Ga  Ga2  9  0.09  0.18  0.13  1.0
  Ga  Ga3  9  0.18  0.09  0.32  1.0
  Ga  Ga4  3  0.0  0.0  0.5  1.0
  Ga  Ga5  3  0.0  0.0  0.66  1.0
  Ga  Ga6  3  0.0  0.0  0.79  1.0
  Ga  Ga7  3  0.0  0.0  0.95  1.0
  P  P8  9  0.05  0.09  0.82  1.0
  P  P9  9  0.09  0.05  0.91  1.0
  P  P10  3  0.0  0.0  0.0  1.0
  Pt  Pt11  9  0.04  0.52  0.25  1.0
  Pt  Pt12  9  0.19  0.37  0.54  1.0

Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga P P P P P P P Pt Pt Pt Pt Pt Pt
Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga Ga P P P P P P P Pt Pt Pt Pt Pt Pt 0 3 o o o 0 2 o o o 1 23 o o o 1 24 o o o 1 28 o o o 1 27 o o o 1 26 o o o 1 25 o o o 2 3 o o o 4 16 o o o 4 20 o o o 4 21 o o o 4 18 o o o 5 6 o - + 5 7 + - o 6 7 + o - 8 14 o o o 8 11 o o o 8 15 o o o 8 10 o o o 8 12 o o o 9 17 o o o 9 22 o o o 9 19 o o o 9 15 o o o 9 14 o o o 9 13 o o o 10 15 o o o 10 13 o o o 10 11 o o o 10 12 o o o 11 14 o o o 11 13 o o o 11 12 o o o 13 14 o o o 13 15 o o o 14 15 o o o 18 21 o o o 18 20 o o o 20 21 o o o 23 24 o o o 25 26 o o o 27 28 o o o 