data_[Li4Mg2In12]
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 [C2/m]
_cell_length_a [10.8340]
_cell_length_b [7.9499]
_cell_length_c [5.3706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0972]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2MgIn6]
_chemical_formula_sum '[Li4 Mg2 In12]'
_cell_volume [434.4036]
_cell_formula_units_Z [2]
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  4  0.1650  0.5000  0.6716  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  In  In2  8  0.1742  0.3143  0.1799  1.0
  In  In3  4  0.0000  0.1914  0.5000  1.0
]