data_[Li4Tb8Ho4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  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 [4.0587]
_cell_length_b [16.9936]
_cell_length_c [12.3618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTb2HoSe5]
_chemical_formula_sum '[Li4 Tb8 Ho4 Se20]'
_cell_volume [852.6120]
_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  0.4872  0.4814  1
  Tb  Tb1  4  0.0000  0.1074  0.6846  1
  Tb  Tb2  4  0.0000  0.1252  0.2933  1
  Ho  Ho3  4  0.0000  0.1957  0.0016  1
  Se  Se4  4  0.0000  0.0459  0.0752  1
  Se  Se5  4  0.0000  0.2852  0.6627  1
  Se  Se6  4  0.0000  0.3075  0.3404  1
  Se  Se7  4  0.0000  0.3621  0.9999  1
  Se  Se8  4  0.0000  0.4999  0.2848  1
]