data_ScVNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   10.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScVNi6
_chemical_formula_sum   'Sc4 V4 Ni24'
_cell_volume   381.33
_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
  Sc  Sc24  1  0.62  0.59  0.0  1.0
  Sc  Sc25  1  0.62  0.41  0.0  1.0
  Sc  Sc26  1  0.0  0.0  0.58  1.0
  Sc  Sc27  1  0.0  0.0  0.71  1.0
  V  V28  1  0.62  0.59  0.14  1.0
  V  V29  1  0.62  0.41  0.14  1.0
  V  V30  1  0.62  0.0  0.55  1.0
  V  V31  1  0.62  0.0  0.73  1.0
  Ni  Ni0  1  0.62  0.51  0.68  1.0
  Ni  Ni1  1  0.38  0.7  0.92  1.0
  Ni  Ni2  1  0.86  0.3  0.92  1.0
  Ni  Ni3  1  0.62  0.49  0.68  1.0
  Ni  Ni4  1  0.86  0.7  0.92  1.0
  Ni  Ni5  1  0.38  0.3  0.92  1.0
  Ni  Ni6  1  0.62  0.0  0.0  1.0
  Ni  Ni7  1  0.88  0.26  0.35  1.0
  Ni  Ni8  1  0.88  0.74  0.35  1.0
  Ni  Ni9  1  0.62  0.51  0.61  1.0
  Ni  Ni10  1  0.36  0.74  0.93  1.0
  Ni  Ni11  1  0.88  0.26  0.93  1.0
  Ni  Ni12  1  0.62  0.49  0.61  1.0
  Ni  Ni13  1  0.88  0.74  0.93  1.0
  Ni  Ni14  1  0.36  0.26  0.93  1.0
  Ni  Ni15  1  0.62  0.0  0.14  1.0
  Ni  Ni16  1  0.86  0.3  0.37  1.0
  Ni  Ni17  1  0.86  0.7  0.37  1.0
  Ni  Ni18  1  0.0  0.0  0.0  1.0
  Ni  Ni19  1  0.36  0.26  0.35  1.0
  Ni  Ni20  1  0.36  0.74  0.35  1.0
  Ni  Ni21  1  0.0  0.0  0.14  1.0
  Ni  Ni22  1  0.38  0.3  0.37  1.0
  Ni  Ni23  1  0.38  0.7  0.37  1.0

data_ScVNi6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   10.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScVNi6
_chemical_formula_sum   'Sc4 V4 Ni24'
_cell_volume   381.33
_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
  Sc  Sc0  1  0.0  0.0  0.58  1.0
  Sc  Sc1  1  0.0  0.0  0.71  1.0
  Sc  Sc2  1  0.62  0.41  -0.0  1.0
  Sc  Sc3  1  0.62  0.59  -0.0  1.0
  V  V4  1  0.62  0.0  0.55  1.0
  V  V5  1  0.62  0.0  0.73  1.0
  V  V6  1  0.62  0.41  0.14  1.0
  V  V7  1  0.62  0.59  0.14  1.0
  Ni  Ni8  1  0.0  0.0  0.0  1.0
  Ni  Ni9  1  0.0  0.0  0.14  1.0
  Ni  Ni10  1  0.36  0.26  0.35  1.0
  Ni  Ni11  1  0.36  0.26  0.93  1.0
  Ni  Ni12  1  0.36  0.74  0.35  1.0
  Ni  Ni13  1  0.36  0.74  0.93  1.0
  Ni  Ni14  1  0.38  0.3  0.37  1.0
  Ni  Ni15  1  0.38  0.3  0.92  1.0
  Ni  Ni16  1  0.38  0.7  0.37  1.0
  Ni  Ni17  1  0.38  0.7  0.92  1.0
  Ni  Ni18  1  0.62  0.0  0.0  1.0
  Ni  Ni19  1  0.62  0.0  0.14  1.0
  Ni  Ni20  1  0.62  0.49  0.61  1.0
  Ni  Ni21  1  0.62  0.49  0.68  1.0
  Ni  Ni22  1  0.62  0.51  0.61  1.0
  Ni  Ni23  1  0.62  0.51  0.68  1.0
  Ni  Ni24  1  0.86  0.3  0.37  1.0
  Ni  Ni25  1  0.86  0.3  0.92  1.0
  Ni  Ni26  1  0.86  0.7  0.37  1.0
  Ni  Ni27  1  0.86  0.7  0.92  1.0
  Ni  Ni28  1  0.88  0.26  0.35  1.0
  Ni  Ni29  1  0.88  0.26  0.93  1.0
  Ni  Ni30  1  0.88  0.74  0.35  1.0
  Ni  Ni31  1  0.88  0.74  0.93  1.0

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