data_[Li4Tb4V4Se12]
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
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9995]
_cell_length_b [13.0254]
_cell_length_c [10.9711]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [LiTbVSe3]
_chemical_formula_sum '[Li4 Tb4 V4 Se12]'
_cell_volume [571.5375]
_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  0.2185  0.2500  1
  Tb  Tb1  4  0.0000  0.0000  0.0000  1
  V  V2  4  0.0000  0.4823  0.7500  1
  Se  Se3  8  0.0000  0.3578  0.5819  1
  Se  Se4  4  0.0000  0.0949  0.7500  1
]