data_[Li36Mg3In18]
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 [10.2271]
_cell_length_b [10.2271]
_cell_length_c [12.8062]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12MgIn6]
_chemical_formula_sum '[Li36 Mg3 In18]'
_cell_volume [1159.9957]
_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  0.0355  0.1920  0.8105  1
  Li  Li1  18  0.0620  0.8390  0.4157  1
  Mg  Mg2  3  0.0000  0.0000  0.0000  1
  In  In3  18  0.0175  0.4325  0.7084  1
]