data_[Al1Zn6Ga1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9934]
_cell_length_b [3.9934]
_cell_length_c [8.0011]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [AlZn6Ga]
_chemical_formula_sum '[Al1 Zn6 Ga1]'
_cell_volume [127.5985]
_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
[
  Al  Al0  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  4  0.0000  0.5000  0.2459  1.0
  Zn  Zn2  1  0.5000  0.5000  0.0000  1.0
  Zn  Zn3  1  0.5000  0.5000  0.5000  1.0
  Ga  Ga4  1  0.0000  0.0000  0.5000  1.0
]