data_VFe6Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   10.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe6Pt
_chemical_formula_sum   'V4 Fe24 Pt4'
_cell_volume   396.53
_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
  V  V28  1  0.66  0.36  0.0  1.0
  V  V29  1  0.66  0.64  0.0  1.0
  V  V30  1  0.0  0.0  0.9  1.0
  V  V31  1  0.0  0.0  0.47  1.0
  Fe  Fe0  1  0.66  0.39  0.83  1.0
  Fe  Fe1  1  0.85  0.69  0.12  1.0
  Fe  Fe2  1  0.48  0.31  0.12  1.0
  Fe  Fe3  1  0.66  0.61  0.83  1.0
  Fe  Fe4  1  0.48  0.69  0.12  1.0
  Fe  Fe5  1  0.85  0.31  0.12  1.0
  Fe  Fe6  1  0.0  0.0  0.18  1.0
  Fe  Fe7  1  0.55  0.3  0.53  1.0
  Fe  Fe8  1  0.55  0.7  0.53  1.0
  Fe  Fe9  1  0.66  0.39  0.54  1.0
  Fe  Fe10  1  0.78  0.7  0.83  1.0
  Fe  Fe11  1  0.55  0.3  0.83  1.0
  Fe  Fe12  1  0.66  0.61  0.54  1.0
  Fe  Fe13  1  0.55  0.7  0.83  1.0
  Fe  Fe14  1  0.78  0.3  0.83  1.0
  Fe  Fe15  1  0.0  0.0  0.0  1.0
  Fe  Fe16  1  0.48  0.31  0.25  1.0
  Fe  Fe17  1  0.48  0.69  0.25  1.0
  Fe  Fe18  1  0.66  0.0  0.18  1.0
  Fe  Fe19  1  0.78  0.3  0.53  1.0
  Fe  Fe20  1  0.78  0.7  0.53  1.0
  Fe  Fe21  1  0.66  0.0  0.0  1.0
  Fe  Fe22  1  0.85  0.31  0.25  1.0
  Fe  Fe23  1  0.85  0.69  0.25  1.0
  Pt  Pt24  1  0.66  0.41  0.18  1.0
  Pt  Pt25  1  0.66  0.59  0.18  1.0
  Pt  Pt26  1  0.66  0.0  0.78  1.0
  Pt  Pt27  1  0.66  0.0  0.59  1.0

data_VFe6Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   10.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe6Pt
_chemical_formula_sum   'V4 Fe24 Pt4'
_cell_volume   396.53
_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
  V  V0  1  0.0  0.0  0.47  1.0
  V  V1  1  0.0  0.0  0.9  1.0
  V  V2  1  0.66  0.36  0.0  1.0
  V  V3  1  0.66  0.64  0.0  1.0
  Fe  Fe4  1  0.0  0.0  0.0  1.0
  Fe  Fe5  1  0.0  0.0  0.18  1.0
  Fe  Fe6  1  0.48  0.31  0.12  1.0
  Fe  Fe7  1  0.48  0.31  0.25  1.0
  Fe  Fe8  1  0.48  0.69  0.12  1.0
  Fe  Fe9  1  0.48  0.69  0.25  1.0
  Fe  Fe10  1  0.55  0.3  0.53  1.0
  Fe  Fe11  1  0.55  0.3  0.83  1.0
  Fe  Fe12  1  0.55  0.7  0.53  1.0
  Fe  Fe13  1  0.55  0.7  0.83  1.0
  Fe  Fe14  1  0.66  0.0  0.0  1.0
  Fe  Fe15  1  0.66  0.0  0.18  1.0
  Fe  Fe16  1  0.66  0.39  0.54  1.0
  Fe  Fe17  1  0.66  0.39  0.83  1.0
  Fe  Fe18  1  0.66  0.61  0.54  1.0
  Fe  Fe19  1  0.66  0.61  0.83  1.0
  Fe  Fe20  1  0.78  0.3  0.53  1.0
  Fe  Fe21  1  0.78  0.3  0.83  1.0
  Fe  Fe22  1  0.78  0.7  0.53  1.0
  Fe  Fe23  1  0.78  0.7  0.83  1.0
  Fe  Fe24  1  0.85  0.31  0.12  1.0
  Fe  Fe25  1  0.85  0.31  0.25  1.0
  Fe  Fe26  1  0.85  0.69  0.12  1.0
  Fe  Fe27  1  0.85  0.69  0.25  1.0
  Pt  Pt28  1  0.66  0.0  0.59  1.0
  Pt  Pt29  1  0.66  0.0  0.78  1.0
  Pt  Pt30  1  0.66  0.41  0.18  1.0
  Pt  Pt31  1  0.66  0.59  0.18  1.0

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