data_[Li3Tb12Tm3Se24]
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
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3913]
_cell_length_b [8.3913]
_cell_length_c [20.4105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiTb4TmSe8]
_chemical_formula_sum '[Li3 Tb12 Tm3 Se24]'
_cell_volume [1244.6366]
_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  0.3750  1.0
  Tb  Tb1  9  0.1734  0.3469  0.8316  1.0
  Tb  Tb2  3  0.0000  0.0000  0.6241  1.0
  Tm  Tm3  3  0.0000  0.0000  0.0055  1.0
  Se  Se4  9  0.0158  0.5079  0.7505  1.0
  Se  Se5  9  0.1797  0.3594  0.5819  1.0
  Se  Se6  3  0.0000  0.0000  0.2451  1.0
  Se  Se7  3  0.0000  0.0000  0.7582  1.0
]