data_ZrV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.14
_cell_length_b   8.44
_cell_length_c   5.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV
_chemical_formula_sum   'Zr12 V12'
_cell_volume   448.79
_cell_formula_units_Z   12
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
  Zr  Zr12  1  0.17  0.42  0.45  1.0
  Zr  Zr13  1  0.97  0.02  0.36  1.0
  Zr  Zr14  1  0.97  0.2  0.45  1.0
  Zr  Zr15  1  0.17  0.24  0.36  1.0
  Zr  Zr16  1  0.92  0.11  0.45  1.0
  Zr  Zr17  1  0.22  0.33  0.36  1.0
  Zr  Zr18  1  0.22  0.33  0.45  1.0
  Zr  Zr19  1  0.92  0.11  0.36  1.0
  Zr  Zr20  1  0.66  0.11  0.0  1.0
  Zr  Zr21  1  0.49  0.33  0.91  1.0
  Zr  Zr22  1  0.49  0.33  0.0  1.0
  Zr  Zr23  1  0.66  0.11  0.91  1.0
  V  V0  1  0.17  0.32  0.45  1.0
  V  V1  1  0.98  0.12  0.36  1.0
  V  V2  1  0.98  0.1  0.45  1.0
  V  V3  1  0.17  0.34  0.36  1.0
  V  V4  1  0.85  0.79  0.45  1.0
  V  V5  1  0.3  0.65  0.36  1.0
  V  V6  1  0.3  0.01  0.45  1.0
  V  V7  1  0.85  0.43  0.36  1.0
  V  V8  1  0.54  0.11  0.0  1.0
  V  V9  1  0.61  0.33  0.91  1.0
  V  V10  1  0.61  0.33  0.0  1.0
  V  V11  1  0.54  0.11  0.91  1.0

data_ZrV
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.81
_cell_length_b   8.44
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV
_chemical_formula_sum   'Zr12 V12'
_cell_volume   448.79
_cell_formula_units_Z   12
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
  Zr  Zr0  1  0.0  0.67  0.51  1.0
  Zr  Zr1  1  0.0  0.89  0.34  1.0
  Zr  Zr2  1  0.09  0.67  0.51  1.0
  Zr  Zr3  1  0.09  0.89  0.34  1.0
  Zr  Zr4  1  0.55  0.58  0.83  1.0
  Zr  Zr5  1  0.55  0.67  0.78  1.0
  Zr  Zr6  1  0.55  0.8  0.03  1.0
  Zr  Zr7  1  0.55  0.89  0.08  1.0
  Zr  Zr8  1  0.64  0.67  0.78  1.0
  Zr  Zr9  1  0.64  0.76  0.83  1.0
  Zr  Zr10  1  0.64  0.89  0.08  1.0
  Zr  Zr11  1  0.64  0.98  0.03  1.0
  V  V12  1  0.0  0.67  0.39  1.0
  V  V13  1  0.0  0.89  0.46  1.0
  V  V14  1  0.09  0.67  0.39  1.0
  V  V15  1  0.09  0.89  0.46  1.0
  V  V16  1  0.55  0.21  0.15  1.0
  V  V17  1  0.55  0.68  0.83  1.0
  V  V18  1  0.55  0.9  0.02  1.0
  V  V19  1  0.55  0.99  0.7  1.0
  V  V20  1  0.64  0.35  0.7  1.0
  V  V21  1  0.64  0.57  0.15  1.0
  V  V22  1  0.64  0.66  0.83  1.0
  V  V23  1  0.64  0.88  0.02  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr V V V V V V V V V V V V
Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr V V V V V V V V V V V V 0 15 o o o 0 12 o o o 0 5 o o o 0 6 o o o 0 17 o o o 0 19 - o o 1 7 o o o 1 4 o o o 1 14 o o o 1 13 o o o 1 16 o - o 1 18 + o o 2 7 o o o 2 4 o o o 2 13 o o o 2 14 o o o 2 19 o o o 3 15 o o o 3 12 o o o 3 6 o o o 3 5 o o o 3 18 o o o 4 14 o o o 4 7 o o o 4 16 o - o 4 19 o o o 5 15 o o o 5 6 o o o 5 17 o o o 5 18 o o o 6 12 o o o 6 17 o o o 6 18 o o o 7 13 o o o 7 16 o - o 7 19 o o o 8 11 o o - 9 10 o o + 12 18 o o o 12 19 - o o 13 18 + o o 13 19 o o o 14 16 o - o 14 18 + o o 14 19 o o o 15 17 o o o 15 18 o o o 15 19 - o o 16 19 o o o 17 18 o + o 19 22 o o o 20 23 o o - 21 22 o o + 