data_[Li3In36Ga21]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.0523]
_cell_length_b [13.0523]
_cell_length_c [9.8177]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [LiIn12Ga7]
_chemical_formula_sum '[Li3 In36 Ga21]'
_cell_volume [1448.4863]
_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
  In  In1  18  0.0355  0.7836  0.4190  1
  In  In2  18  0.0587  0.4912  0.6397  1
  Ga  Ga3  18  0.0005  0.8714  0.7529  1
  Ga  Ga4  3  0.0000  0.0000  0.5000  1
]