data_[Mg20Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [7.0291]
_cell_length_b [13.7263]
_cell_length_c [6.0249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Mg5Ga2]
_chemical_formula_sum '[Mg20 Ga8]'
_cell_volume [581.3014]
_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  0.2325  0.2500  1.0
  Mg  Mg1  8  0.1543  0.4164  0.5000  1.0
  Mg  Mg2  4  0.0000  0.0000  0.2500  1.0
  Ga  Ga3  8  0.2360  0.3775  0.0000  1.0
]