data_[Li20Mg12In8]
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 [Ibam]
_cell_length_a [10.0720]
_cell_length_b [15.6159]
_cell_length_c [5.4711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Li5Mg3In2]
_chemical_formula_sum '[Li20 Mg12 In8]'
_cell_volume [860.5066]
_cell_formula_units_Z [4]
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  8  0.0000  0.1766  0.2500  1
  Li  Li1  8  0.0613  0.3265  0.0000  1
  Li  Li2  4  0.0000  0.5000  0.2500  1
  Mg  Mg3  8  0.2249  0.3156  0.5000  1
  Mg  Mg4  4  0.0000  0.0000  0.2500  1
  In  In5  8  0.2410  0.0651  0.5000  1
]