data_[Ba4Bi2Te8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [12.7461]
_cell_length_b [4.7381]
_cell_length_c [9.6694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6981]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2BiTe4]
_chemical_formula_sum '[Ba4 Bi2 Te8]'
_cell_volume [534.7136]
_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  4  0.1656  0.5000  0.6614  1.0
  Bi  Bi1  2  0.0000  0.0000  0.0000  1.0
  Te  Te2  4  0.0585  0.0000  0.3531  1.0
  Te  Te3  4  0.1714  0.5000  0.0303  1.0
]