data_BaAl2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   7.03
_cell_length_c   7.03
_cell_angle_alpha   28.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2Zn
_chemical_formula_sum   'Ba1 Al2 Zn1'
_cell_volume   102.06
_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
  Ba  Ba2  1  0.13  0.0  0.98  1.0
  Al  Al0  1  0.13  0.0  0.18  1.0
  Al  Al1  1  0.0  0.0  0.26  1.0
  Zn  Zn3  1  0.0  0.0  0.78  1.0

data_BaAl2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.27
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   104.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAl2Zn
_chemical_formula_sum   'Ba1 Al2 Zn1'
_cell_volume   102.06
_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
  Ba  Ba0  1  0.02  0.13  0.02  1.0
  Al  Al1  1  0.74  0.0  0.74  1.0
  Al  Al2  1  0.82  0.13  0.82  1.0
  Zn  Zn3  1  0.22  0.0  0.22  1.0

Ba Al Al Zn