data_[Ba4Li4Sm2Te8]
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
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6776]
_cell_length_b [4.5528]
_cell_length_c [8.2099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2Li2SmTe4]
_chemical_formula_sum '[Ba4 Li4 Sm2 Te8]'
_cell_volume [583.8608]
_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  0.1328  0.0000  0.5597  1.0
  Li  Li1  4  0.1804  0.5000  0.9925  1.0
  Sm  Sm2  2  0.0000  0.0000  0.0000  1.0
  Te  Te3  4  0.0167  0.5000  0.7456  1.0
  Te  Te4  4  0.2054  0.0000  0.2008  1.0
]