data_[Li12Mg4Ga4]
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 [C2/m]
_cell_length_a [9.5060]
_cell_length_b [4.5496]
_cell_length_c [8.1621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7497]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3MgGa]
_chemical_formula_sum '[Li12 Mg4 Ga4]'
_cell_volume [348.8902]
_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  4  0.0186  0.0000  0.8299  1.0
  Li  Li1  4  0.1394  0.0000  0.5491  1.0
  Li  Li2  4  0.2286  0.5000  0.7137  1.0
  Mg  Mg3  4  0.1606  0.5000  0.0567  1.0
  Ga  Ga4  4  0.0660  0.5000  0.3679  1.0
]