data_ZrV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95
_cell_length_b   6.71
_cell_length_c   2.88
_cell_angle_alpha   82.49
_cell_angle_beta   73.25
_cell_angle_gamma   24.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2
_chemical_formula_sum   'Zr1 V2'
_cell_volume   49.74
_cell_formula_units_Z   1
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  Zr2  1  0.0  0.0  0.0  1.0
  V  V0  1  0.59  0.4  0.9  1.0
  V  V1  1  0.59  0.4  0.14  1.0

data_ZrV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   2.88
_cell_length_c   6.71
_cell_angle_alpha   97.51
_cell_angle_beta   97.51
_cell_angle_gamma   113.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV2
_chemical_formula_sum   'Zr1 V2'
_cell_volume   49.74
_cell_formula_units_Z   1
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  0.0  0.0  1.0
  V  V1  1  0.59  0.1  0.99  1.0
  V  V2  1  0.59  0.86  0.99  1.0

Zr V V
Zr V V 0 2 - o o 1 2 o o + 