data_[Zr8Al8Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I2_13]
_cell_length_a [8.0960]
_cell_length_b [8.0960]
_cell_length_c [8.0960]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [199]
_chemical_formula_structural [Zr2Al2Ga3]
_chemical_formula_sum '[Zr8 Al8 Ga12]'
_cell_volume [530.6592]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  8  0.2448  0.2448  0.2448  1
  Al  Al1  8  0.0633  0.4367  0.5633  1
  Ga  Ga2  12  0.0000  0.2500  0.9915  1
]