data_[Al3Zn21Ga36]
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 [R-3]
_cell_length_a [12.0761]
_cell_length_b [12.0761]
_cell_length_c [8.4909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [AlZn7Ga12]
_chemical_formula_sum '[Al3 Zn21 Ga36]'
_cell_volume [1072.3484]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Zn  Zn1  18  0.0689  0.5102  0.6198  1
  Zn  Zn2  3  0.0000  0.0000  0.5000  1
  Ga  Ga3  18  0.0070  0.2608  0.5353  1
  Ga  Ga4  18  0.0526  0.1690  0.2542  1
]