data_[Li4La8Tm4Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1933]
_cell_length_b [17.3809]
_cell_length_c [12.5110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiLa2TmSe5]
_chemical_formula_sum '[Li4 La8 Tm4 Se20]'
_cell_volume [911.8459]
_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  0.4832  0.4787  1.0
  La  La1  4  0.0000  0.1078  0.6853  1.0
  La  La2  4  0.0000  0.1265  0.2990  1.0
  Tm  Tm3  4  0.0000  0.1978  0.0041  1.0
  Se  Se4  4  0.0000  0.0482  0.0677  1.0
  Se  Se5  4  0.0000  0.2858  0.6588  1.0
  Se  Se6  4  0.0000  0.3077  0.3499  1.0
  Se  Se7  4  0.0000  0.3610  0.9987  1.0
  Se  Se8  4  0.0000  0.4993  0.7819  1.0
]