data_[Li4La8Sm4Te20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Sm  1.1700  1.8500  1.2290
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.5001]
_cell_length_b [18.9773]
_cell_length_c [13.3513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2SmTe5]
_chemical_formula_sum '[Li4 La8 Sm4 Te20]'
_cell_volume [1140.1888]
_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
[
  Li  Li0  4  0.0000  0.4440  0.4630  1.0
  La  La1  4  0.0000  0.1067  0.6846  1.0
  La  La2  4  0.0000  0.1243  0.3038  1.0
  Sm  Sm3  4  0.0000  0.1988  0.0086  1.0
  Te  Te4  4  0.0000  0.0464  0.0698  1.0
  Te  Te5  4  0.0000  0.2854  0.6700  1.0
  Te  Te6  4  0.0000  0.3120  0.3454  1.0
  Te  Te7  4  0.0000  0.3638  0.9990  1.0
  Te  Te8  4  0.0000  0.4986  0.7798  1.0
]