data_CoPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   3.86
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoPt2
_chemical_formula_sum   'Co4 Pt8'
_cell_volume   172.28
_cell_formula_units_Z   4
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  0.64  0.96  0.55  1.0
  Co  Co1  1  0.09  0.89  0.46  1.0
  Co  Co2  1  0.37  0.96  0.73  1.0
  Co  Co3  1  0.82  0.89  0.63  1.0
  Pt  Pt4  1  0.66  0.96  0.99  1.0
  Pt  Pt5  1  0.71  0.96  0.76  1.0
  Pt  Pt6  1  0.02  0.89  0.66  1.0
  Pt  Pt7  1  0.07  0.89  0.08  1.0
  Pt  Pt8  1  0.39  0.96  0.11  1.0
  Pt  Pt9  1  0.44  0.96  0.52  1.0
  Pt  Pt10  1  0.74  0.89  0.43  1.0
  Pt  Pt11  1  0.8  0.89  0.2  1.0

data_CoPt2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.86
_cell_length_b   5.46
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoPt2
_chemical_formula_sum   'Co4 Pt8'
_cell_volume   172.28
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.04  0.91  0.96  1.0
  Co  Co1  2  0.04  0.64  0.13  1.0
  Pt  Pt2  2  0.04  0.93  0.39  1.0
  Pt  Pt3  2  0.04  0.98  0.16  1.0
  Pt  Pt4  2  0.04  0.66  0.51  1.0
  Pt  Pt5  2  0.04  0.71  0.93  1.0

Co Co Co Co Pt Pt Pt Pt Pt Pt Pt Pt
Co Co Co Co Pt Pt Pt Pt Pt Pt Pt Pt 0 9 o o o 0 10 o o o 0 3 o o o 0 2 o o o 1 10 - o o 1 6 o o o 1 3 - o o 1 9 o o o 2 6 o o o 2 9 o o o 2 5 o o o 3 5 o o o 3 6 + o o 4 8 o o + 4 11 o o + 4 5 o o o 7 11 - o o 7 8 o o o 10 11 o o o 