data_[Zn21Cd3Ga36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [12.2473]
_cell_length_b [12.2473]
_cell_length_c [8.5699]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Zn7CdGa12]
_chemical_formula_sum '[Zn21 Cd3 Ga36]'
_cell_volume [1113.2332]
_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  0.0734  0.8971  0.7472  1.0
  Zn  Zn1  3  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  3  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  18  0.0021  0.7465  0.0159  1.0
  Ga  Ga4  18  0.0757  0.5708  0.1112  1.0
]