data_GaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   8.11
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaPt2
_chemical_formula_sum   'Ga8 Pt16'
_cell_volume   376.53
_cell_formula_units_Z   8
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  0.37  0.37  0.37  1.0
  Ga  Ga1  1  0.83  0.83  0.37  1.0
  Ga  Ga2  1  0.83  0.37  0.83  1.0
  Ga  Ga3  1  0.37  0.83  0.83  1.0
  Ga  Ga4  1  0.96  0.96  0.96  1.0
  Ga  Ga5  1  0.5  0.5  0.96  1.0
  Ga  Ga6  1  0.5  0.96  0.5  1.0
  Ga  Ga7  1  0.96  0.5  0.5  1.0
  Pt  Pt8  1  0.43  0.3  0.3  1.0
  Pt  Pt9  1  0.3  0.43  0.3  1.0
  Pt  Pt10  1  0.3  0.3  0.43  1.0
  Pt  Pt11  1  0.43  0.43  0.43  1.0
  Pt  Pt12  1  0.73  0.73  0.85  1.0
  Pt  Pt13  1  0.73  0.85  0.73  1.0
  Pt  Pt14  1  0.85  0.73  0.73  1.0
  Pt  Pt15  1  0.61  0.73  0.73  1.0
  Pt  Pt16  1  0.73  0.61  0.73  1.0
  Pt  Pt17  1  0.73  0.73  0.61  1.0
  Pt  Pt18  1  0.6  0.6  0.48  1.0
  Pt  Pt19  1  0.6  0.48  0.6  1.0
  Pt  Pt20  1  0.48  0.6  0.6  1.0
  Pt  Pt21  1  0.72  0.6  0.6  1.0
  Pt  Pt22  1  0.6  0.72  0.6  1.0
  Pt  Pt23  1  0.6  0.6  0.72  1.0

data_GaPt2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   19.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   GaPt2
_chemical_formula_sum   'Ga24 Pt48'
_cell_volume   1129.59
_cell_formula_units_Z   24
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  0.03  0.51  0.01  1.0
  Ga  Ga1  9  0.18  0.36  0.99  1.0
  Ga  Ga2  3  0.0  0.0  0.04  1.0
  Ga  Ga3  3  0.0  0.0  0.63  1.0
  Pt  Pt4  9  0.04  0.08  0.36  1.0
  Pt  Pt5  9  0.04  0.08  0.23  1.0
  Pt  Pt6  9  0.04  0.09  0.66  1.0
  Pt  Pt7  9  0.08  0.04  0.31  1.0
  Pt  Pt8  9  0.08  0.04  0.44  1.0
  Pt  Pt9  3  0.0  0.0  0.57  1.0

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