data_[Li6Mg18In36]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [13.1555]
_cell_length_b [13.1555]
_cell_length_c [9.7782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li(MgIn2)3]
_chemical_formula_sum '[Li6 Mg18 In36]'
_cell_volume [1465.5600]
_cell_formula_units_Z [6]
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
  Li  Li1  3  0.0000  0.0000  0.5000  1.0
  Mg  Mg2  18  0.0254  0.8687  0.7474  1.0
  In  In3  18  0.0035  0.2301  0.9469  1.0
  In  In4  18  0.0719  0.8133  0.4455  1.0
]