data_ZrAlV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlV2
_chemical_formula_sum   'Zr2 Al2 V4'
_cell_volume   138.24
_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  Zr6  1  0.29  0.32  0.63  1.0
  Zr  Zr7  1  0.0  0.64  0.99  1.0
  Al  Al0  1  0.0  0.0  0.57  1.0
  Al  Al1  1  0.0  0.0  0.05  1.0
  V  V2  1  0.29  0.32  0.14  1.0
  V  V3  1  0.0  0.64  0.48  1.0
  V  V4  1  0.29  0.32  0.64  1.0
  V  V5  1  0.0  0.64  0.98  1.0

data_ZrAlV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAlV2
_chemical_formula_sum   'Zr2 Al2 V4'
_cell_volume   138.24
_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  0.64  0.99  1.0
  Zr  Zr1  1  0.29  0.32  0.63  1.0
  Al  Al2  1  0.0  0.0  0.05  1.0
  Al  Al3  1  0.0  0.0  0.57  1.0
  V  V4  1  0.0  0.64  0.48  1.0
  V  V5  1  0.0  0.64  0.98  1.0
  V  V6  1  0.29  0.32  0.14  1.0
  V  V7  1  0.29  0.32  0.64  1.0

Zr Zr Al Al V V V V