data_Zr2AlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   8.8
_cell_angle_alpha   90.61
_cell_angle_beta   90.61
_cell_angle_gamma   53.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlV
_chemical_formula_sum   'Zr2 Al1 V1'
_cell_volume   77.48
_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  0.16  0.0  0.32  1.0
  Zr  Zr3  1  0.63  0.0  0.48  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.95  0.0  0.4  1.0

data_Zr2AlV
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.31
_cell_length_c   8.8
_cell_angle_alpha   90.61
_cell_angle_beta   90.0
_cell_angle_gamma   116.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2AlV
_chemical_formula_sum   'Zr2 Al1 V1'
_cell_volume   77.48
_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  0.37  0.52  1.0
  Zr  Zr1  1  0.0  0.84  0.68  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.05  0.6  1.0

Zr Zr Al V