data_CoPt13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89
_cell_length_b   8.89
_cell_length_c   8.89
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPt13
_chemical_formula_sum   'Co2 Pt26'
_cell_volume   496.23
_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
  Co  Co0  1  0.14  0.14  0.14  1.0
  Co  Co1  1  0.43  0.43  0.43  1.0
  Pt  Pt2  1  0.79  0.28  0.58  1.0
  Pt  Pt3  1  0.78  0.28  0.58  1.0
  Pt  Pt4  1  0.79  0.28  0.99  1.0
  Pt  Pt5  1  0.78  0.28  0.99  1.0
  Pt  Pt6  1  0.28  0.58  0.78  1.0
  Pt  Pt7  1  0.28  0.58  0.79  1.0
  Pt  Pt8  1  0.28  0.99  0.78  1.0
  Pt  Pt9  1  0.28  0.99  0.79  1.0
  Pt  Pt10  1  0.99  0.78  0.28  1.0
  Pt  Pt11  1  0.99  0.79  0.28  1.0
  Pt  Pt12  1  0.58  0.78  0.28  1.0
  Pt  Pt13  1  0.58  0.79  0.28  1.0
  Pt  Pt14  1  0.28  0.78  0.27  1.0
  Pt  Pt15  1  0.28  0.79  0.27  1.0
  Pt  Pt16  1  0.28  0.78  0.29  1.0
  Pt  Pt17  1  0.28  0.79  0.29  1.0
  Pt  Pt18  1  0.27  0.28  0.79  1.0
  Pt  Pt19  1  0.27  0.28  0.78  1.0
  Pt  Pt20  1  0.29  0.28  0.79  1.0
  Pt  Pt21  1  0.29  0.28  0.78  1.0
  Pt  Pt22  1  0.79  0.29  0.28  1.0
  Pt  Pt23  1  0.78  0.29  0.28  1.0
  Pt  Pt24  1  0.79  0.27  0.28  1.0
  Pt  Pt25  1  0.78  0.27  0.28  1.0
  Pt  Pt26  1  0.28  0.28  0.28  1.0
  Pt  Pt27  1  0.0  0.0  0.0  1.0

data_CoPt13
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.89
_cell_length_b   8.89
_cell_length_c   21.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   CoPt13
_chemical_formula_sum   'Co6 Pt78'
_cell_volume   1488.68
_cell_formula_units_Z   6
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  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+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
  Co  Co0  3  0.0  0.0  0.57  1.0
  Co  Co1  3  0.0  0.0  0.86  1.0
  Pt  Pt2  9  0.0  0.5  0.22  1.0
  Pt  Pt3  9  0.01  0.51  0.22  1.0
  Pt  Pt4  9  0.03  0.76  0.98  1.0
  Pt  Pt5  9  0.03  0.77  0.98  1.0
  Pt  Pt6  9  0.09  0.4  0.12  1.0
  Pt  Pt7  9  0.1  0.4  0.12  1.0
  Pt  Pt8  9  0.16  0.83  0.54  1.0
  Pt  Pt9  9  0.17  0.34  0.55  1.0
  Pt  Pt10  3  0.0  0.0  0.72  1.0
  Pt  Pt11  3  0.0  0.0  1.0  1.0

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