data_[Li3Ho12Tm3Se24]
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 [R3m]
_cell_length_a [8.3233]
_cell_length_b [8.3233]
_cell_length_c [20.3219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiHo4TmSe8]
_chemical_formula_sum '[Li3 Ho12 Tm3 Se24]'
_cell_volume [1219.2280]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6251  1.0
  Ho  Ho1  9  0.0140  0.5070  0.5018  1.0
  Ho  Ho2  3  0.0000  0.0000  0.3754  1.0
  Tm  Tm3  3  0.0000  0.0000  0.9945  1.0
  Se  Se4  9  0.0244  0.5122  0.7521  1.0
  Se  Se5  9  0.1741  0.3483  0.5822  1.0
  Se  Se6  3  0.0000  0.0000  0.2416  1.0
  Se  Se7  3  0.0000  0.0000  0.7551  1.0
]