data_[Li12Mg12In16]
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 [I-43d]
_cell_length_a [9.7374]
_cell_length_b [9.7374]
_cell_length_c [9.7374]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [220]
_chemical_formula_structural [Li3Mg3In4]
_chemical_formula_sum '[Li12 Mg12 In16]'
_cell_volume [923.2827]
_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  12  0.0000  0.2500  0.8750  1
  Mg  Mg1  12  0.0000  0.2500  0.3750  1
  In  In2  16  0.1084  0.1084  0.1084  1
]