data_Zr5Al3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.29
_cell_length_b   8.29
_cell_length_c   8.29
_cell_angle_alpha   96.1
_cell_angle_beta   96.1
_cell_angle_gamma   141.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Al3
_chemical_formula_sum   'Zr10 Al6'
_cell_volume   331.56
_cell_formula_units_Z   2
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  Zr6  1  0.0  0.54  0.35  1.0
  Zr  Zr7  1  0.54  0.0  0.35  1.0
  Zr  Zr8  1  0.42  0.11  0.0  1.0
  Zr  Zr9  1  0.12  0.43  0.7  1.0
  Zr  Zr10  1  0.88  0.43  0.0  1.0
  Zr  Zr11  1  0.66  0.11  0.7  1.0
  Zr  Zr12  1  0.65  0.88  0.0  1.0
  Zr  Zr13  1  0.89  0.66  0.7  1.0
  Zr  Zr14  1  0.43  0.88  0.7  1.0
  Zr  Zr15  1  0.11  0.66  0.0  1.0
  Al  Al0  1  0.0  0.0  0.35  1.0
  Al  Al1  1  0.0  0.0  0.05  1.0
  Al  Al2  1  0.81  0.73  0.7  1.0
  Al  Al3  1  0.73  0.81  0.0  1.0
  Al  Al4  1  0.81  0.35  0.0  1.0
  Al  Al5  1  0.73  0.19  0.7  1.0

data_Zr5Al3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.4
_cell_length_b   8.29
_cell_length_c   8.29
_cell_angle_alpha   83.9
_cell_angle_beta   70.97
_cell_angle_gamma   70.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Al3
_chemical_formula_sum   'Zr10 Al6'
_cell_volume   331.56
_cell_formula_units_Z   2
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  0.0  0.54  0.65  1.0
  Zr  Zr1  1  0.11  0.31  0.0  1.0
  Zr  Zr2  1  0.11  0.55  0.3  1.0
  Zr  Zr3  1  0.43  0.45  0.0  1.0
  Zr  Zr4  1  0.43  0.69  0.3  1.0
  Zr  Zr5  1  0.54  0.46  0.65  1.0
  Zr  Zr6  1  0.66  0.23  0.3  1.0
  Zr  Zr7  1  0.66  0.45  0.0  1.0
  Zr  Zr8  1  0.88  0.55  0.3  1.0
  Zr  Zr9  1  0.88  0.77  0.0  1.0
  Al  Al10  1  0.0  0.0  0.65  1.0
  Al  Al11  1  0.0  0.0  0.95  1.0
  Al  Al12  1  0.19  0.54  0.3  1.0
  Al  Al13  1  0.35  0.46  0.0  1.0
  Al  Al14  1  0.73  0.08  0.3  1.0
  Al  Al15  1  0.81  0.92  0.0  1.0

Zr Zr Zr Zr Zr Zr Zr Zr Zr Zr Al Al Al Al Al Al