data_[Ba4Li4Yb4Te12]
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
  Yb  1.1000  1.7500  1.0840
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6924]
_cell_length_b [14.2481]
_cell_length_c [11.6994]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [BaLiYbTe3]
_chemical_formula_sum '[Ba4 Li4 Yb4 Te12]'
_cell_volume [782.2017]
_cell_formula_units_Z [4]
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  0.0000  0.2490  0.7500  1
  Li  Li1  4  0.0000  0.4687  0.2500  1
  Yb  Yb2  4  0.0000  0.0000  0.0000  1
  Te  Te3  8  0.0000  0.3559  0.0544  1
  Te  Te4  4  0.0000  0.0677  0.2500  1
]