data_[Li4Ho4Th8Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ho  1.2300  1.7500  1.0410
  Th  1.3000  1.8000  1.0800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0328]
_cell_length_b [17.2457]
_cell_length_c [12.5466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiHoTh2Se5]
_chemical_formula_sum '[Li4 Ho4 Th8 Se20]'
_cell_volume [872.5944]
_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  0.4904  0.4818  1
  Ho  Ho1  4  0.0000  0.1953  0.0008  1
  Th  Th2  4  0.0000  0.1096  0.6818  1
  Th  Th3  4  0.0000  0.1293  0.2982  1
  Se  Se4  4  0.0000  0.0452  0.0745  1
  Se  Se5  4  0.0000  0.2876  0.6601  1
  Se  Se6  4  0.0000  0.3083  0.3410  1
  Se  Se7  4  0.0000  0.3604  0.9982  1
  Se  Se8  4  0.0000  0.4999  0.7876  1
]