data_[Ba2Na1Zn3Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7881]
_cell_length_b [4.7881]
_cell_length_c [12.0446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ba2NaZn3Sn4]
_chemical_formula_sum '[Ba2 Na1 Zn3 Sn4]'
_cell_volume [276.1345]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.7533  1.0
  Na  Na1  1  0.5000  0.5000  0.5000  1.0
  Zn  Zn2  2  0.0000  0.5000  0.1344  1.0
  Zn  Zn3  1  0.0000  0.0000  0.5000  1.0
  Sn  Sn4  2  0.0000  0.5000  0.3592  1.0
  Sn  Sn5  1  0.0000  0.0000  0.0000  1.0
  Sn  Sn6  1  0.5000  0.5000  0.0000  1.0
]