data_BeAl2V
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.67
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2V
_chemical_formula_sum   'Be1 Al2 V1'
_cell_volume   54.38
_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
  Be  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.39  0.83  0.01  1.0
  Al  Al1  1  0.39  0.83  0.31  1.0
  V  V3  1  0.0  0.0  0.66  1.0

data_BeAl2V
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.67
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeAl2V
_chemical_formula_sum   'Be1 Al2 V1'
_cell_volume   54.38
_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
  Be  Be0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.39  0.83  0.01  1.0
  Al  Al2  1  0.39  0.83  0.31  1.0
  V  V3  1  0.0  0.0  0.66  1.0

Be Al Al V
Be Al Al V 0 1 o - o 0 3 o o - 1 2 o o o 1 3 o + - 2 3 o + o 