data_[Al6Zn4Ga6]
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 [16.6966]
_cell_length_b [4.0413]
_cell_length_c [4.1207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al3Zn2Ga3]
_chemical_formula_sum '[Al6 Zn4 Ga6]'
_cell_volume [271.2084]
_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  0.1266  0.5000  0.1127  1.0
  Al  Al1  2  0.0000  0.5000  0.5000  1.0
  Zn  Zn2  4  0.2485  0.0000  0.2444  1.0
  Ga  Ga3  4  0.1273  0.0000  0.6127  1.0
  Ga  Ga4  2  0.0000  0.0000  0.0000  1.0
]