data_Zr6AlFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   4.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6AlFe2
_chemical_formula_sum   'Zr6 Al1 Fe2'
_cell_volume   177.68
_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  0.94  0.0  0.07  1.0
  Zr  Zr4  1  0.03  0.68  0.07  1.0
  Zr  Zr5  1  0.55  0.42  0.07  1.0
  Zr  Zr6  1  0.16  0.0  0.0  1.0
  Zr  Zr7  1  0.92  0.6  0.0  1.0
  Zr  Zr8  1  0.44  0.5  0.0  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.07  0.07  1.0
  Fe  Fe2  1  0.52  0.03  0.07  1.0

data_Zr6AlFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   7.04
_cell_length_c   7.04
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr6AlFe2
_chemical_formula_sum   'Zr6 Al1 Fe2'
_cell_volume   177.68
_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  0.16  0.0  1.0
  Zr  Zr1  1  0.0  0.92  0.6  1.0
  Zr  Zr2  1  0.0  0.44  0.5  1.0
  Zr  Zr3  1  0.07  0.03  0.68  1.0
  Zr  Zr4  1  0.07  0.55  0.42  1.0
  Zr  Zr5  1  0.07  0.94  0.0  1.0
  Al  Al6  1  0.0  0.0  0.0  1.0
  Fe  Fe7  1  0.07  0.0  0.07  1.0
  Fe  Fe8  1  0.07  0.52  0.03  1.0

Zr Zr Zr Zr Zr Zr Al Fe Fe