data_[Na2Mg3Al1Sn4]
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
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.6349]
_cell_length_b [4.6349]
_cell_length_c [12.6576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Na2Mg3AlSn4]
_chemical_formula_sum '[Na2 Mg3 Al1 Sn4]'
_cell_volume [271.9179]
_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
[
  Na  Na0  2  0.0000  0.5000  0.7425  1
  Mg  Mg1  2  0.0000  0.5000  0.1440  1
  Mg  Mg2  1  0.0000  0.0000  0.5000  1
  Al  Al3  1  0.5000  0.5000  0.5000  1
  Sn  Sn4  2  0.0000  0.5000  0.3657  1
  Sn  Sn5  1  0.0000  0.0000  0.0000  1
  Sn  Sn6  1  0.5000  0.5000  0.0000  1
]