data_[Li4Tb4Ti4Se12]
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
  Ti  1.5400  1.4000  0.8517
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9923]
_cell_length_b [13.0010]
_cell_length_c [11.0859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiTbTiSe3]
_chemical_formula_sum '[Li4 Tb4 Ti4 Se12]'
_cell_volume [575.4022]
_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  0.2561  0.7500  1
  Tb  Tb1  4  0.0000  0.5000  0.0000  1
  Ti  Ti2  4  0.0000  0.0267  0.2500  1
  Se  Se3  8  0.0000  0.1449  0.0769  1
  Se  Se4  4  0.0000  0.4060  0.2500  1
]