data_[Li4Mg6Ga18]
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 [Immm]
_cell_length_a [4.3142]
_cell_length_b [9.7199]
_cell_length_c [12.1820]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Li2(MgGa3)3]
_chemical_formula_sum '[Li4 Mg6 Ga18]'
_cell_volume [510.8305]
_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  0.0000  0.1656  0.5000  1.0
  Mg  Mg1  4  0.0000  0.0000  0.2907  1.0
  Mg  Mg2  2  0.0000  0.0000  0.0000  1.0
  Ga  Ga3  8  0.0000  0.2857  0.1413  1.0
  Ga  Ga4  8  0.0000  0.3678  0.3534  1.0
  Ga  Ga5  2  0.0000  0.5000  0.0000  1.0
]