data_[Na4Mg6In12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [11.7084]
_cell_length_b [12.6949]
_cell_length_c [4.3564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Na2(MgIn2)3]
_chemical_formula_sum '[Na4 Mg6 In12]'
_cell_volume [647.5255]
_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
[
  Na  Na0  4  0.0000  0.3074  0.0000  1
  Mg  Mg1  4  0.1966  0.0000  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
  In  In3  8  0.1722  0.1646  0.5000  1
  In  In4  4  0.1226  0.5000  0.5000  1
]