data_Fe6CuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   10.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6CuPt
_chemical_formula_sum   'Fe24 Cu4 Pt4'
_cell_volume   399.48
_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
  Fe  Fe4  1  0.66  0.36  0.91  1.0
  Fe  Fe5  1  0.78  0.67  0.2  1.0
  Fe  Fe6  1  0.54  0.33  0.2  1.0
  Fe  Fe7  1  0.66  0.64  0.91  1.0
  Fe  Fe8  1  0.54  0.67  0.2  1.0
  Fe  Fe9  1  0.78  0.33  0.2  1.0
  Fe  Fe10  1  0.0  0.0  0.23  1.0
  Fe  Fe11  1  0.51  0.29  0.59  1.0
  Fe  Fe12  1  0.51  0.71  0.59  1.0
  Fe  Fe13  1  0.66  0.36  0.56  1.0
  Fe  Fe14  1  0.8  0.71  0.88  1.0
  Fe  Fe15  1  0.51  0.29  0.88  1.0
  Fe  Fe16  1  0.66  0.64  0.56  1.0
  Fe  Fe17  1  0.51  0.71  0.88  1.0
  Fe  Fe18  1  0.8  0.29  0.88  1.0
  Fe  Fe19  1  0.0  0.0  0.0  1.0
  Fe  Fe20  1  0.54  0.33  0.27  1.0
  Fe  Fe21  1  0.54  0.67  0.27  1.0
  Fe  Fe22  1  0.66  0.0  0.23  1.0
  Fe  Fe23  1  0.8  0.29  0.59  1.0
  Fe  Fe24  1  0.8  0.71  0.59  1.0
  Fe  Fe25  1  0.66  0.0  0.0  1.0
  Fe  Fe26  1  0.78  0.33  0.27  1.0
  Fe  Fe27  1  0.78  0.67  0.27  1.0
  Cu  Cu0  1  0.66  0.42  0.0  1.0
  Cu  Cu1  1  0.66  0.58  0.0  1.0
  Cu  Cu2  1  0.0  0.0  0.88  1.0
  Cu  Cu3  1  0.0  0.0  0.59  1.0
  Pt  Pt28  1  0.66  0.4  0.23  1.0
  Pt  Pt29  1  0.66  0.6  0.23  1.0
  Pt  Pt30  1  0.66  0.0  0.9  1.0
  Pt  Pt31  1  0.66  0.0  0.57  1.0

data_Fe6CuPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   10.47
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6CuPt
_chemical_formula_sum   'Fe24 Cu4 Pt4'
_cell_volume   399.48
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.23  1.0
  Fe  Fe2  1  0.51  0.29  0.59  1.0
  Fe  Fe3  1  0.51  0.29  0.88  1.0
  Fe  Fe4  1  0.51  0.71  0.59  1.0
  Fe  Fe5  1  0.51  0.71  0.88  1.0
  Fe  Fe6  1  0.54  0.33  0.2  1.0
  Fe  Fe7  1  0.54  0.33  0.27  1.0
  Fe  Fe8  1  0.54  0.67  0.2  1.0
  Fe  Fe9  1  0.54  0.67  0.27  1.0
  Fe  Fe10  1  0.66  0.0  -0.0  1.0
  Fe  Fe11  1  0.66  0.0  0.23  1.0
  Fe  Fe12  1  0.66  0.36  0.56  1.0
  Fe  Fe13  1  0.66  0.36  0.91  1.0
  Fe  Fe14  1  0.66  0.64  0.56  1.0
  Fe  Fe15  1  0.66  0.64  0.91  1.0
  Fe  Fe16  1  0.78  0.33  0.2  1.0
  Fe  Fe17  1  0.78  0.33  0.27  1.0
  Fe  Fe18  1  0.78  0.67  0.2  1.0
  Fe  Fe19  1  0.78  0.67  0.27  1.0
  Fe  Fe20  1  0.8  0.29  0.59  1.0
  Fe  Fe21  1  0.8  0.29  0.88  1.0
  Fe  Fe22  1  0.8  0.71  0.59  1.0
  Fe  Fe23  1  0.8  0.71  0.88  1.0
  Cu  Cu24  1  0.0  0.0  0.59  1.0
  Cu  Cu25  1  0.0  0.0  0.88  1.0
  Cu  Cu26  1  0.66  0.42  -0.0  1.0
  Cu  Cu27  1  0.66  0.58  -0.0  1.0
  Pt  Pt28  1  0.66  0.0  0.57  1.0
  Pt  Pt29  1  0.66  0.0  0.9  1.0
  Pt  Pt30  1  0.66  0.4  0.23  1.0
  Pt  Pt31  1  0.66  0.6  0.23  1.0

Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Cu Cu Cu Cu Pt Pt Pt Pt
Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Cu Cu Cu Cu Pt Pt Pt Pt 0 11 o o o 0 24 o o + 0 14 o o o 1 29 o o o 1 23 o o o 1 6 + + o 2 28 o o o 2 16 o o o 3 25 o o + 3 10 o o o 3 13 o o o 4 17 o o o 4 18 o + o 5 22 o o o 5 18 o o o 6 23 - - o 6 18 - o o 6 15 o o o 7 9 o o o 8 12 o o o 8 31 o + o 9 19 o o o 12 20 o o o 15 26 o o - 16 28 o o o 17 18 o + o 18 21 o o o 18 22 o o o 19 31 o o o 20 27 + + o 21 30 o o - 23 29 o o o 24 25 o o o 27 31 - o o 