data_Be2AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.47
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlNi
_chemical_formula_sum   'Be2 Al1 Ni1'
_cell_volume   40.66
_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  Be1  1  0.68  0.73  0.0  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.68  0.0  0.74  1.0
  Ni  Ni3  1  0.0  0.73  0.74  1.0

data_Be2AlNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.47
_cell_length_c   3.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2AlNi
_chemical_formula_sum   'Be2 Al1 Ni1'
_cell_volume   40.66
_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
  Be  Be1  1  0.68  0.73  0.0  1.0
  Al  Al2  1  0.68  0.0  0.74  1.0
  Ni  Ni3  1  0.0  0.73  0.74  1.0

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