data_[Li18Mg36Ga3]
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 [R-3]
_cell_length_a [10.3889]
_cell_length_b [10.3889]
_cell_length_c [12.8387]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6Mg12Ga]
_chemical_formula_sum '[Li18 Mg36 Ga3]'
_cell_volume [1200.0341]
_cell_formula_units_Z [3]
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  18  0.0371  0.4405  0.7019  1.0
  Mg  Mg1  18  0.0299  0.1857  0.8158  1.0
  Mg  Mg2  18  0.0612  0.8466  0.4118  1.0
  Ga  Ga3  3  0.0000  0.0000  0.0000  1.0
]