data_[Li3Tb3Y12Se24]
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
  Y  1.2200  1.8000  1.0400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3748]
_cell_length_b [8.3748]
_cell_length_c [20.5378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiTb(YSe2)4]
_chemical_formula_sum '[Li3 Tb3 Y12 Se24]'
_cell_volume [1247.4690]
_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  0.6250  1.0
  Tb  Tb1  3  0.0000  0.0000  0.9948  1.0
  Y  Y2  9  0.0139  0.5069  0.5017  1.0
  Y  Y3  3  0.0000  0.0000  0.3749  1.0
  Se  Se4  9  0.0224  0.5112  0.7531  1.0
  Se  Se5  9  0.1734  0.3468  0.5814  1.0
  Se  Se6  3  0.0000  0.0000  0.2413  1.0
  Se  Se7  3  0.0000  0.0000  0.7552  1.0
]