data_Zr2(AlV)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.59
_cell_length_b   7.59
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2(AlV)3
_chemical_formula_sum   'Zr2 Al3 V3'
_cell_volume   142.41
_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  Zr6  1  0.0  0.38  0.0  1.0
  Zr  Zr7  1  0.79  0.19  0.0  1.0
  Al  Al0  1  0.81  0.0  0.0  1.0
  Al  Al1  1  0.09  0.03  0.0  1.0
  Al  Al2  1  0.89  0.54  0.0  1.0
  V  V3  1  0.65  0.0  0.43  1.0
  V  V4  1  0.67  0.3  0.43  1.0
  V  V5  1  0.47  0.27  0.43  1.0

data_Zr2(AlV)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   7.59
_cell_length_c   7.59
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2(AlV)3
_chemical_formula_sum   'Zr2 Al3 V3'
_cell_volume   142.41
_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  0.38  1.0
  Zr  Zr1  1  0.0  0.79  0.19  1.0
  Al  Al2  1  0.0  0.09  0.03  1.0
  Al  Al3  1  0.0  0.81  0.0  1.0
  Al  Al4  1  0.0  0.89  0.54  1.0
  V  V5  1  0.43  0.47  0.27  1.0
  V  V6  1  0.43  0.65  0.0  1.0
  V  V7  1  0.43  0.67  0.3  1.0

Zr Zr Al Al Al V V V