data_Zr5Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   7.55
_cell_angle_alpha   104.72
_cell_angle_beta   104.72
_cell_angle_gamma   30.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Al
_chemical_formula_sum   'Zr5 Al1'
_cell_volume   132.83
_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  Zr1  1  0.06  0.0  0.36  1.0
  Zr  Zr2  1  0.54  0.0  0.96  1.0
  Zr  Zr3  1  0.01  0.0  0.97  1.0
  Zr  Zr4  1  0.46  0.0  0.47  1.0
  Zr  Zr5  1  0.3  0.0  0.91  1.0
  Al  Al0  1  0.45  0.0  0.24  1.0

data_Zr5Al
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   5.97
_cell_length_c   7.55
_cell_angle_alpha   104.72
_cell_angle_beta   90.0
_cell_angle_gamma   105.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Al
_chemical_formula_sum   'Zr5 Al1'
_cell_volume   132.83
_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  0.0  0.46  0.04  1.0
  Zr  Zr1  1  0.0  0.54  0.53  1.0
  Zr  Zr2  1  0.0  0.7  0.09  1.0
  Zr  Zr3  1  0.0  0.94  0.64  1.0
  Zr  Zr4  1  0.0  0.99  0.03  1.0
  Al  Al5  1  0.0  0.55  0.76  1.0

Zr Zr Zr Zr Zr Al