data_[Li4Sm8In4Se20]
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
  In  1.7800  1.5500  0.9400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0956]
_cell_length_b [17.9013]
_cell_length_c [11.9501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiSm2InSe5]
_chemical_formula_sum '[Li4 Sm8 In4 Se20]'
_cell_volume [876.1383]
_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  0.2228  0.0161  1.0
  Sm  Sm1  4  0.0000  0.1244  0.6787  1.0
  Sm  Sm2  4  0.0000  0.1256  0.3029  1.0
  In  In3  4  0.0000  0.4163  0.4727  1.0
  Se  Se4  4  0.0000  0.0362  0.0843  1.0
  Se  Se5  4  0.0000  0.2984  0.6583  1.0
  Se  Se6  4  0.0000  0.3022  0.3336  1.0
  Se  Se7  4  0.0000  0.3614  0.9948  1.0
  Se  Se8  4  0.0000  0.4931  0.2825  1.0
]