data_VCrNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   10.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrNi6
_chemical_formula_sum   'V4 Cr4 Ni24'
_cell_volume   359.7
_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  0.56  0.52  0.0  1.0
  V  V29  1  0.56  0.48  0.0  1.0
  V  V30  1  0.0  0.0  0.55  1.0
  V  V31  1  0.0  0.0  0.51  1.0
  Cr  Cr0  1  0.56  0.52  0.03  1.0
  Cr  Cr1  1  0.56  0.48  0.03  1.0
  Cr  Cr2  1  0.56  0.0  0.54  1.0
  Cr  Cr3  1  0.56  0.0  0.52  1.0
  Ni  Ni4  1  0.56  0.53  0.48  1.0
  Ni  Ni5  1  0.35  0.75  0.76  1.0
  Ni  Ni6  1  0.76  0.25  0.76  1.0
  Ni  Ni7  1  0.56  0.47  0.48  1.0
  Ni  Ni8  1  0.76  0.75  0.76  1.0
  Ni  Ni9  1  0.35  0.25  0.76  1.0
  Ni  Ni10  1  0.56  0.0  0.0  1.0
  Ni  Ni11  1  0.77  0.26  0.24  1.0
  Ni  Ni12  1  0.77  0.74  0.24  1.0
  Ni  Ni13  1  0.56  0.53  0.58  1.0
  Ni  Ni14  1  0.35  0.74  0.82  1.0
  Ni  Ni15  1  0.77  0.26  0.82  1.0
  Ni  Ni16  1  0.56  0.47  0.58  1.0
  Ni  Ni17  1  0.77  0.74  0.82  1.0
  Ni  Ni18  1  0.35  0.26  0.82  1.0
  Ni  Ni19  1  0.56  0.0  0.03  1.0
  Ni  Ni20  1  0.76  0.25  0.31  1.0
  Ni  Ni21  1  0.76  0.75  0.31  1.0
  Ni  Ni22  1  0.0  0.0  0.0  1.0
  Ni  Ni23  1  0.35  0.26  0.24  1.0
  Ni  Ni24  1  0.35  0.74  0.24  1.0
  Ni  Ni25  1  0.0  0.0  0.03  1.0
  Ni  Ni26  1  0.35  0.25  0.31  1.0
  Ni  Ni27  1  0.35  0.75  0.31  1.0

data_VCrNi6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   10.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCrNi6
_chemical_formula_sum   'V4 Cr4 Ni24'
_cell_volume   359.7
_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  0.51  1.0
  V  V1  1  0.0  0.0  0.55  1.0
  V  V2  1  0.56  0.48  0.0  1.0
  V  V3  1  0.56  0.52  0.0  1.0
  Cr  Cr4  1  0.56  0.0  0.52  1.0
  Cr  Cr5  1  0.56  0.0  0.54  1.0
  Cr  Cr6  1  0.56  0.48  0.03  1.0
  Cr  Cr7  1  0.56  0.52  0.03  1.0
  Ni  Ni8  1  0.0  0.0  0.0  1.0
  Ni  Ni9  1  0.0  0.0  0.03  1.0
  Ni  Ni10  1  0.35  0.74  0.24  1.0
  Ni  Ni11  1  0.35  0.74  0.82  1.0
  Ni  Ni12  1  0.35  0.26  0.24  1.0
  Ni  Ni13  1  0.35  0.26  0.82  1.0
  Ni  Ni14  1  0.35  0.75  0.31  1.0
  Ni  Ni15  1  0.35  0.75  0.76  1.0
  Ni  Ni16  1  0.35  0.25  0.31  1.0
  Ni  Ni17  1  0.35  0.25  0.76  1.0
  Ni  Ni18  1  0.56  0.0  0.0  1.0
  Ni  Ni19  1  0.56  0.0  0.03  1.0
  Ni  Ni20  1  0.56  0.47  0.48  1.0
  Ni  Ni21  1  0.56  0.47  0.58  1.0
  Ni  Ni22  1  0.56  0.53  0.48  1.0
  Ni  Ni23  1  0.56  0.53  0.58  1.0
  Ni  Ni24  1  0.76  0.25  0.31  1.0
  Ni  Ni25  1  0.76  0.25  0.76  1.0
  Ni  Ni26  1  0.76  0.75  0.31  1.0
  Ni  Ni27  1  0.76  0.75  0.76  1.0
  Ni  Ni28  1  0.77  0.26  0.24  1.0
  Ni  Ni29  1  0.77  0.26  0.82  1.0
  Ni  Ni30  1  0.77  0.74  0.24  1.0
  Ni  Ni31  1  0.77  0.74  0.82  1.0

V V V V Cr Cr Cr Cr Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni
V V V V Cr Cr Cr Cr 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 4 o o o 0 1 o o o 1 5 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 26 29 o o o 27 30 o o o 28 31 o o o 