data_[Na2Sn6Bi4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [C2/m]
_cell_length_a [19.7533]
_cell_length_b [4.4805]
_cell_length_c [9.3366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaSn3(BiTe3)2]
_chemical_formula_sum '[Na2 Sn6 Bi4 Te12]'
_cell_volume [802.3177]
_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  0.5000  0.0000  1.0
  Sn  Sn1  4  0.1691  0.0000  0.8382  1.0
  Sn  Sn2  2  0.0000  0.5000  0.5000  1.0
  Bi  Bi3  4  0.1603  0.0000  0.3335  1.0
  Te  Te4  4  0.0019  0.0000  0.2562  1.0
  Te  Te5  4  0.1675  0.5000  0.5929  1.0
  Te  Te6  4  0.1705  0.5000  0.0918  1.0
]