data_[Li3Ga21Ag36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.0614]
_cell_length_b [11.0614]
_cell_length_c [10.2872]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LiGa7Ag12]
_chemical_formula_sum '[Li3 Ga21 Ag36]'
_cell_volume [1090.0590]
_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  3  0.0000  0.0000  0.0000  1.0
  Ga  Ga1  18  0.0496  0.1673  0.2355  1.0
  Ga  Ga2  3  0.0000  0.0000  0.5000  1.0
  Ag  Ag3  18  0.0295  0.2735  0.4758  1.0
  Ag  Ag4  18  0.0498  0.5214  0.6264  1.0
]