data_Zr2AlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlV
_chemical_formula_sum   'Zr4 Al2 V2'
_cell_volume   170.74
_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
  Zr  Zr4  1  0.36  0.36  0.19  1.0
  Zr  Zr5  1  0.0  0.72  0.69  1.0
  Zr  Zr6  1  0.36  0.36  0.55  1.0
  Zr  Zr7  1  0.0  0.72  0.32  1.0
  Al  Al0  1  0.0  0.0  0.58  1.0
  Al  Al1  1  0.0  0.0  0.3  1.0
  V  V2  1  0.36  0.36  0.4  1.0
  V  V3  1  0.0  0.72  0.48  1.0

data_Zr2AlV
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   8.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlV
_chemical_formula_sum   'Zr4 Al2 V2'
_cell_volume   170.74
_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
  Zr  Zr0  1  -0.0  0.72  0.32  1.0
  Zr  Zr1  1  -0.0  0.72  0.69  1.0
  Zr  Zr2  1  0.36  0.36  0.19  1.0
  Zr  Zr3  1  0.36  0.36  0.55  1.0
  Al  Al4  1  0.0  0.0  0.3  1.0
  Al  Al5  1  0.0  0.0  0.58  1.0
  V  V6  1  -0.0  0.72  0.48  1.0
  V  V7  1  0.36  0.36  0.4  1.0

Zr Zr Zr Zr Al Al V V