data_[Mg12Zn12Ga8]
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 [Cmcm]
_cell_length_a [4.2298]
_cell_length_b [10.1971]
_cell_length_c [13.7633]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Mg3Zn3Ga2]
_chemical_formula_sum '[Mg12 Zn12 Ga8]'
_cell_volume [593.6297]
_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  0.0000  0.0715  0.6135  1
  Mg  Mg1  4  0.0000  0.3500  0.7500  1
  Zn  Zn2  8  0.0000  0.3888  0.5400  1
  Zn  Zn3  4  0.0000  0.3742  0.2500  1
  Ga  Ga4  8  0.0000  0.2156  0.1067  1
]