data_[Mg8Zn12Ga20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [11.3875]
_cell_length_b [11.6366]
_cell_length_c [5.6306]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Mg2Zn3Ga5]
_chemical_formula_sum '[Mg8 Zn12 Ga20]'
_cell_volume [746.1268]
_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
[
  Mg  Mg0  8  0.1272  0.2530  0.5000  1.0
  Zn  Zn1  8  0.1254  0.3548  0.0000  1.0
  Zn  Zn2  4  0.0000  0.0000  0.2500  1.0
  Ga  Ga3  8  0.1198  0.1459  0.0000  1.0
  Ga  Ga4  8  0.2497  0.0000  0.2500  1.0
  Ga  Ga5  4  0.0000  0.5000  0.2500  1.0
]