data_[Na4Ca2Al2Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.6282]
_cell_length_b [9.1809]
_cell_length_c [7.8245]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na2CaAlSn2]
_chemical_formula_sum '[Na4 Ca2 Al2 Sn4]'
_cell_volume [332.4694]
_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  2  0.0000  0.1593  0.3380  1.0
  Na  Na1  2  0.5000  0.0793  0.0271  1.0
  Ca  Ca2  2  0.0000  0.4507  0.0003  1.0
  Al  Al3  2  0.5000  0.3304  0.6539  1.0
  Sn  Sn4  2  0.0000  0.1728  0.7383  1.0
  Sn  Sn5  2  0.5000  0.3803  0.2880  1.0
]