data_Mg2AlV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.45
_cell_length_b   5.45
_cell_length_c   4.72
_cell_angle_alpha   109.44
_cell_angle_beta   109.44
_cell_angle_gamma   31.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlV
_chemical_formula_sum   'Mg2 Al1 V1'
_cell_volume   69.13
_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
  Mg  Mg1  1  0.48  0.0  0.13  1.0
  Mg  Mg2  1  0.36  0.0  0.29  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.42  0.0  0.21  1.0

data_Mg2AlV
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.72
_cell_length_c   5.45
_cell_angle_alpha   109.44
_cell_angle_beta   105.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2AlV
_chemical_formula_sum   'Mg2 Al1 V1'
_cell_volume   69.13
_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
  Mg  Mg0  1  0.0  0.13  0.48  1.0
  Mg  Mg1  1  0.0  0.29  0.36  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.21  0.42  1.0

Mg Mg Al V