data_[Li4La8Tm4Te20]
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
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4606]
_cell_length_b [18.8542]
_cell_length_c [13.2401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2TmTe5]
_chemical_formula_sum '[Li4 La8 Tm4 Te20]'
_cell_volume [1113.5059]
_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  0.4403  0.4615  1.0
  La  La1  4  0.0000  0.1066  0.6854  1.0
  La  La2  4  0.0000  0.1258  0.3037  1.0
  Tm  Tm3  4  0.0000  0.1979  0.0103  1.0
  Te  Te4  4  0.0000  0.0481  0.0675  1.0
  Te  Te5  4  0.0000  0.2841  0.6658  1.0
  Te  Te6  4  0.0000  0.3091  0.3503  1.0
  Te  Te7  4  0.0000  0.3595  0.9992  1.0
  Te  Te8  4  0.0000  0.4983  0.7804  1.0
]