data_[Li6Sm24Te36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [R-3c]
_cell_length_a [12.4041]
_cell_length_b [12.4041]
_cell_length_c [14.7744]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Li(Sm2Te3)2]
_chemical_formula_sum '[Li6 Sm24 Te36]'
_cell_volume [1968.6451]
_cell_formula_units_Z [6]
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
[
  Li  Li0  6  0.0000  0.0000  0.0000  1
  Sm  Sm1  18  0.0000  0.3920  0.7500  1
  Sm  Sm2  6  0.0000  0.0000  0.2500  1
  Te  Te3  36  0.0312  0.2046  0.8861  1
]