data_[Na6Li6Ga45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.3172]
_cell_length_b [9.3172]
_cell_length_c [14.8736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2Li2Ga15]
_chemical_formula_sum '[Na6 Li6 Ga45]'
_cell_volume [1118.2024]
_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
[
  Na  Na0  6  0.0000  0.0000  0.3390  1.0
  Li  Li1  6  0.0000  0.0000  0.1035  1.0
  Ga  Ga2  18  0.0000  0.2862  0.0000  1.0
  Ga  Ga3  18  0.0089  0.5045  0.1373  1.0
  Ga  Ga4  9  0.0000  0.5000  0.5000  1.0
]