data_[Mg12Zn4Ga12]
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 [C2/m]
_cell_length_a [9.8959]
_cell_length_b [4.1772]
_cell_length_c [13.8784]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3ZnGa3]
_chemical_formula_sum '[Mg12 Zn4 Ga12]'
_cell_volume [546.2328]
_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  4  0.0190  0.5000  0.3742  1
  Mg  Mg1  4  0.1058  0.5000  0.9250  1
  Mg  Mg2  4  0.2309  0.5000  0.2261  1
  Zn  Zn3  4  0.2307  0.0000  0.3804  1
  Ga  Ga4  4  0.0119  0.0000  0.2259  1
  Ga  Ga5  4  0.1146  0.0000  0.0760  1
  Ga  Ga6  4  0.1369  0.0000  0.5429  1
]