data_[Al8Zn2Ga14]
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 [C2/m]
_cell_length_a [11.3775]
_cell_length_b [4.9954]
_cell_length_c [9.8421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3367]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al4ZnGa7]
_chemical_formula_sum '[Al8 Zn2 Ga14]'
_cell_volume [461.8988]
_cell_formula_units_Z [2]
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  4  0.1122  0.5000  0.3271  1.0
  Al  Al1  4  0.2067  0.0000  0.7767  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  4  0.0745  0.0000  0.4269  1.0
  Ga  Ga4  4  0.1779  0.5000  0.8929  1.0
  Ga  Ga5  4  0.2381  0.5000  0.6586  1.0
  Ga  Ga6  2  0.0000  0.5000  0.0000  1.0
]