data_[Zn18In3Ga36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [12.0572]
_cell_length_b [12.0572]
_cell_length_c [8.6568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Zn6InGa12]
_chemical_formula_sum '[Zn18 In3 Ga36]'
_cell_volume [1089.8787]
_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
[
  Zn  Zn0  18  0.0716  0.5358  0.2330  1.0
  In  In1  3  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  18  0.0000  0.3855  0.5000  1.0
  Ga  Ga3  18  0.0833  0.9167  0.2737  1.0
]