data_[Li6Mg4Ga8]
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 [9.2146]
_cell_length_b [4.1377]
_cell_length_c [8.6678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7735]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3(MgGa2)2]
_chemical_formula_sum '[Li6 Mg4 Ga8]'
_cell_volume [310.9941]
_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
[
  Li  Li0  4  0.1589  0.5000  0.5574  1
  Li  Li1  2  0.0000  0.0000  0.0000  1
  Mg  Mg2  4  0.1757  0.5000  0.2174  1
  Ga  Ga3  4  0.0126  0.0000  0.3425  1
  Ga  Ga4  4  0.1514  0.5000  0.8730  1
]