data_ZrV5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.74
_cell_length_b   6.74
_cell_length_c   4.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV5
_chemical_formula_sum   'Zr1 V5'
_cell_volume   89.82
_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  Zr5  1  0.54  0.0  0.22  1.0
  V  V0  1  0.54  0.26  0.0  1.0
  V  V1  1  0.54  0.74  0.0  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.54  0.81  0.22  1.0
  V  V4  1  0.54  0.19  0.22  1.0

data_ZrV5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.44
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   103.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrV5
_chemical_formula_sum   'Zr1 V5'
_cell_volume   89.82
_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  0.78  0.46  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.19  0.78  0.65  1.0
  V  V3  1  0.26  -0.0  0.72  1.0
  V  V4  1  0.74  0.0  0.2  1.0
  V  V5  1  0.81  0.78  0.27  1.0

Zr V V V V V