data_[Li18Mg36In3]
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 [10.4736]
_cell_length_b [10.4736]
_cell_length_c [12.9806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6Mg12In]
_chemical_formula_sum '[Li18 Mg36 In3]'
_cell_volume [1233.1613]
_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  0.0306  0.5930  0.7010  1.0
  Mg  Mg1  18  0.0281  0.8402  0.8127  1.0
  Mg  Mg2  18  0.0620  0.2140  0.4125  1.0
  In  In3  3  0.0000  0.0000  0.0000  1.0
]