data_[Li6Mg2In12]
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 [P2_1/m]
_cell_length_a [8.5476]
_cell_length_b [5.0462]
_cell_length_c [11.1227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2308]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li3MgIn6]
_chemical_formula_sum '[Li6 Mg2 In12]'
_cell_volume [447.1952]
_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  2  0.1869  0.7500  0.6354  1
  Li  Li1  2  0.1954  0.2500  0.9669  1
  Li  Li2  2  0.4029  0.2500  0.7751  1
  Mg  Mg3  2  0.3890  0.7500  0.4292  1
  In  In4  2  0.0030  0.2500  0.1669  1
  In  In5  2  0.0100  0.2500  0.6659  1
  In  In6  2  0.2129  0.7500  0.1326  1
  In  In7  2  0.2173  0.2500  0.4858  1
  In  In8  2  0.4025  0.7500  0.9304  1
  In  In9  2  0.4303  0.2500  0.2769  1
]