data_[Na12Mg4In28]
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 [Cmcm]
_cell_length_a [3.3869]
_cell_length_b [22.5030]
_cell_length_c [16.2207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na3MgIn7]
_chemical_formula_sum '[Na12 Mg4 In28]'
_cell_volume [1236.2816]
_cell_formula_units_Z [4]
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  8  0.0000  0.1171  0.5318  1
  Na  Na1  4  0.0000  0.2623  0.2500  1
  Mg  Mg2  4  0.0000  0.0292  0.2500  1
  In  In3  8  0.0000  0.2547  0.5775  1
  In  In4  8  0.0000  0.3713  0.6568  1
  In  In5  8  0.0000  0.4994  0.5917  1
  In  In6  4  0.0000  0.4101  0.2500  1
]