data_[Ba2Li2Bi2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.5085]
_cell_length_b [4.6153]
_cell_length_c [10.0589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLiBiTe3]
_chemical_formula_sum '[Ba2 Li2 Bi2 Te6]'
_cell_volume [427.1533]
_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  0.1945  0.2500  0.2510  1.0
  Li  Li1  2  0.0869  0.2500  0.5930  1.0
  Bi  Bi2  2  0.3257  0.7500  0.8460  1.0
  Te  Te3  2  0.1070  0.2500  0.8795  1.0
  Te  Te4  2  0.2148  0.7500  0.5195  1.0
  Te  Te5  2  0.4470  0.7500  0.1671  1.0
]