data_[Li4Sm8Ho4Se20]
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
  Ho  1.2300  1.7500  1.0410
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1044]
_cell_length_b [17.1620]
_cell_length_c [12.4057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiSm2HoSe5]
_chemical_formula_sum '[Li4 Sm8 Ho4 Se20]'
_cell_volume [873.8438]
_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  0.4813  1
  Sm  Sm1  4  0.0000  0.1073  0.6852  1
  Sm  Sm2  4  0.0000  0.1254  0.2957  1
  Ho  Ho3  4  0.0000  0.1965  0.0023  1
  Se  Se4  4  0.0000  0.0469  0.0731  1
  Se  Se5  4  0.0000  0.2850  0.6616  1
  Se  Se6  4  0.0000  0.3077  0.3425  1
  Se  Se7  4  0.0000  0.3621  0.9982  1
  Se  Se8  4  0.0000  0.4998  0.2842  1
]