data_[Li4Ho8Tm4Se20]
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
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0267]
_cell_length_b [16.8602]
_cell_length_c [12.3283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiHo2TmSe5]
_chemical_formula_sum '[Li4 Ho8 Tm4 Se20]'
_cell_volume [836.9874]
_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  0.4873  0.4810  1
  Ho  Ho1  4  0.0000  0.1070  0.6842  1
  Ho  Ho2  4  0.0000  0.1257  0.2913  1
  Tm  Tm3  4  0.0000  0.1959  0.0018  1
  Se  Se4  4  0.0000  0.0464  0.0755  1
  Se  Se5  4  0.0000  0.2843  0.6624  1
  Se  Se6  4  0.0000  0.3067  0.3415  1
  Se  Se7  4  0.0000  0.3619  0.0014  1
  Se  Se8  4  0.0000  0.4997  0.7850  1
]