data_[Li4Ce8Ho4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  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 [4.1125]
_cell_length_b [17.1774]
_cell_length_c [12.4515]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiCe2HoSe5]
_chemical_formula_sum '[Li4 Ce8 Ho4 Se20]'
_cell_volume [879.6023]
_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  0.4850  0.4785  1.0
  Ce  Ce1  4  0.0000  0.1071  0.6841  1.0
  Ce  Ce2  4  0.0000  0.1263  0.2981  1.0
  Ho  Ho3  4  0.0000  0.1974  0.0036  1.0
  Se  Se4  4  0.0000  0.0470  0.0709  1.0
  Se  Se5  4  0.0000  0.2864  0.6619  1.0
  Se  Se6  4  0.0000  0.3084  0.3468  1.0
  Se  Se7  4  0.0000  0.3616  0.9979  1.0
  Se  Se8  4  0.0000  0.4987  0.7821  1.0
]