data_ZrBeAl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.21
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   94.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeAl2
_chemical_formula_sum   'Zr1 Be1 Al2'
_cell_volume   67.77
_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  Zr3  1  0.51  0.1  0.89  1.0
  Be  Be2  1  0.1  0.0  0.73  1.0
  Al  Al0  1  0.11  0.0  0.21  1.0
  Al  Al1  1  0.96  0.1  0.38  1.0

data_ZrBeAl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.21
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   94.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBeAl2
_chemical_formula_sum   'Zr1 Be1 Al2'
_cell_volume   67.77
_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  0.51  0.1  0.89  1.0
  Be  Be1  1  0.1  0.0  0.73  1.0
  Al  Al2  1  0.11  0.0  0.21  1.0
  Al  Al3  1  0.96  0.1  0.38  1.0

Zr Be Al Al