data_[Li1Mg6In4]
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 [P-6m2]
_cell_length_a [9.4261]
_cell_length_b [9.4261]
_cell_length_c [3.4178]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Li(Mg3In2)2]
_chemical_formula_sum '[Li1 Mg6 In4]'
_cell_volume [262.9920]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg1  3  0.0526  0.5263  0.0000  1.0
  Mg  Mg2  3  0.3705  0.1853  0.5000  1.0
  In  In3  3  0.1659  0.3318  0.5000  1.0
  In  In4  1  0.6667  0.3333  0.0000  1.0
]