data_[Mg92Ga24]
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 [Fm-3m]
_cell_length_a [13.7753]
_cell_length_b [13.7753]
_cell_length_c [13.7753]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Mg23Ga6]
_chemical_formula_sum '[Mg92 Ga24]'
_cell_volume [2613.9943]
_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  48  0.0000  0.1725  0.1725  1
  Mg  Mg1  32  0.1212  0.1212  0.3788  1
  Mg  Mg2  8  0.2500  0.2500  0.2500  1
  Mg  Mg3  4  0.0000  0.0000  0.0000  1
  Ga  Ga4  24  0.0000  0.0000  0.2685  1
]