data_[Mg2Zn4Ga16]
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 [11.2710]
_cell_length_b [8.4527]
_cell_length_c [4.7982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(ZnGa4)2]
_chemical_formula_sum '[Mg2 Zn4 Ga16]'
_cell_volume [451.4883]
_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
[
  Mg  Mg0  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn1  4  0.1344  0.0000  0.5660  1.0
  Ga  Ga2  8  0.0703  0.2878  0.7765  1.0
  Ga  Ga3  4  0.1187  0.5000  0.3086  1.0
  Ga  Ga4  4  0.2487  0.5000  0.8688  1.0
]