data_VCr22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25
_cell_length_b   9.25
_cell_length_c   9.25
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VCr22
_chemical_formula_sum   'V2 Cr44'
_cell_volume   558.86
_cell_formula_units_Z   2
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  V44  1  0.27  0.27  0.27  1.0
  V  V45  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.28  0.0  0.07  1.0
  Cr  Cr1  1  0.28  0.07  0.0  1.0
  Cr  Cr2  1  0.79  0.07  0.07  1.0
  Cr  Cr3  1  0.79  0.0  0.0  1.0
  Cr  Cr4  1  0.07  0.79  0.07  1.0
  Cr  Cr5  1  0.0  0.79  0.0  1.0
  Cr  Cr6  1  0.07  0.28  0.0  1.0
  Cr  Cr7  1  0.0  0.28  0.07  1.0
  Cr  Cr8  1  0.07  0.0  0.28  1.0
  Cr  Cr9  1  0.0  0.07  0.28  1.0
  Cr  Cr10  1  0.0  0.0  0.79  1.0
  Cr  Cr11  1  0.07  0.07  0.79  1.0
  Cr  Cr12  1  0.52  0.74  0.34  1.0
  Cr  Cr13  1  0.52  0.34  0.74  1.0
  Cr  Cr14  1  0.55  0.74  0.74  1.0
  Cr  Cr15  1  0.55  0.34  0.34  1.0
  Cr  Cr16  1  0.74  0.74  0.55  1.0
  Cr  Cr17  1  0.34  0.34  0.55  1.0
  Cr  Cr18  1  0.74  0.34  0.52  1.0
  Cr  Cr19  1  0.34  0.74  0.52  1.0
  Cr  Cr20  1  0.74  0.52  0.34  1.0
  Cr  Cr21  1  0.34  0.52  0.74  1.0
  Cr  Cr22  1  0.34  0.55  0.34  1.0
  Cr  Cr23  1  0.74  0.55  0.74  1.0
  Cr  Cr24  1  0.81  0.99  0.81  1.0
  Cr  Cr25  1  0.81  0.62  0.81  1.0
  Cr  Cr26  1  0.81  0.81  0.62  1.0
  Cr  Cr27  1  0.81  0.81  0.99  1.0
  Cr  Cr28  1  0.62  0.81  0.81  1.0
  Cr  Cr29  1  0.99  0.81  0.81  1.0
  Cr  Cr30  1  0.54  0.54  0.36  1.0
  Cr  Cr31  1  0.54  0.54  0.72  1.0
  Cr  Cr32  1  0.54  0.72  0.54  1.0
  Cr  Cr33  1  0.54  0.36  0.54  1.0
  Cr  Cr34  1  0.72  0.54  0.54  1.0
  Cr  Cr35  1  0.36  0.54  0.54  1.0
  Cr  Cr36  1  0.9  0.63  0.9  1.0
  Cr  Cr37  1  0.9  0.9  0.63  1.0
  Cr  Cr38  1  0.63  0.9  0.9  1.0
  Cr  Cr39  1  0.63  0.63  0.63  1.0
  Cr  Cr40  1  0.9  0.17  0.9  1.0
  Cr  Cr41  1  0.9  0.9  0.17  1.0
  Cr  Cr42  1  0.17  0.9  0.9  1.0
  Cr  Cr43  1  0.17  0.17  0.17  1.0

data_VCr22
_symmetry_space_group_name_H-M   R3m
_cell_length_a   9.25
_cell_length_b   9.25
_cell_length_c   22.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   VCr22
_chemical_formula_sum   'V6 Cr132'
_cell_volume   1676.57
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  3  0.0  0.0  0.0  1.0
  V  V1  3  0.0  0.0  0.73  1.0
  Cr  Cr2  18  0.01  0.2  0.47  1.0
  Cr  Cr3  18  0.05  0.16  0.88  1.0
  Cr  Cr4  9  0.06  0.12  0.13  1.0
  Cr  Cr5  9  0.06  0.12  0.4  1.0
  Cr  Cr6  9  0.07  0.14  0.59  1.0
  Cr  Cr7  9  0.09  0.18  0.01  1.0
  Cr  Cr8  9  0.12  0.06  0.52  1.0
  Cr  Cr9  9  0.12  0.06  0.25  1.0
  Cr  Cr10  9  0.12  0.06  0.33  1.0
  Cr  Cr11  9  0.14  0.07  0.07  1.0
  Cr  Cr12  9  0.18  0.09  0.19  1.0
  Cr  Cr13  9  0.18  0.09  0.02  1.0
  Cr  Cr14  3  0.0  0.0  0.37  1.0
  Cr  Cr15  3  0.0  0.0  0.83  1.0

V V Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr Cr