data_[Ba2Sn4Bi2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sn  1.9600  1.4500  0.8300
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [6.6565]
_cell_length_b [6.6565]
_cell_length_c [13.1480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [BaSn2BiTe4]
_chemical_formula_sum '[Ba2 Sn4 Bi2 Te8]'
_cell_volume [582.5842]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.2500  1
  Sn  Sn1  2  0.0000  0.0000  0.5000  1
  Sn  Sn2  2  0.0000  0.5000  0.7500  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  Te  Te4  4  0.0000  0.0000  0.2467  1
  Te  Te5  4  0.0000  0.5000  0.5116  1
]