data_[Li4Sm8Tm4Se20]
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
  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 [4.0942]
_cell_length_b [17.1281]
_cell_length_c [12.3729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiSm2TmSe5]
_chemical_formula_sum '[Li4 Sm8 Tm4 Se20]'
_cell_volume [867.6617]
_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  0.4863  0.4810  1.0
  Sm  Sm1  4  0.0000  0.1072  0.6853  1.0
  Sm  Sm2  4  0.0000  0.1258  0.2958  1.0
  Tm  Tm3  4  0.0000  0.1966  0.0028  1.0
  Se  Se4  4  0.0000  0.0475  0.0723  1.0
  Se  Se5  4  0.0000  0.2846  0.6607  1.0
  Se  Se6  4  0.0000  0.3073  0.3442  1.0
  Se  Se7  4  0.0000  0.3613  0.9979  1.0
  Se  Se8  4  0.0000  0.4999  0.2839  1.0
]