data_[Li2Mg12In4]
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 [P4_2/mnm]
_cell_length_a [9.5160]
_cell_length_b [9.5160]
_cell_length_c [4.4333]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Li(Mg3In)2]
_chemical_formula_sum '[Li2 Mg12 In4]'
_cell_volume [401.4590]
_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  0.0000  0.0000  0.0000  1
  Mg  Mg1  8  0.0008  0.3316  0.0000  1
  Mg  Mg2  4  0.1637  0.1637  0.5000  1
  In  In3  4  0.1653  0.8347  0.5000  1
]