data_[Li12Mg24Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.7486]
_cell_length_b [16.3269]
_cell_length_c [5.3972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li3Mg6Ga]
_chemical_formula_sum '[Li12 Mg24 Ga4]'
_cell_volume [859.0558]
_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
[
  Li  Li0  8  0.1541  0.1121  0.4188  1
  Li  Li1  4  0.0000  0.3844  0.0995  1
  Mg  Mg2  8  0.1593  0.4597  0.5528  1
  Mg  Mg3  8  0.2441  0.2043  0.8631  1
  Mg  Mg4  4  0.0000  0.0590  0.9225  1
  Mg  Mg5  4  0.0000  0.2880  0.6461  1
  Ga  Ga6  4  0.0000  0.2192  0.1480  1
]