data_[Li4Tb8Ga4Se20]
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
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9441]
_cell_length_b [17.6805]
_cell_length_c [11.7812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTb2GaSe5]
_chemical_formula_sum '[Li4 Tb8 Ga4 Se20]'
_cell_volume [821.5455]
_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  0.2122  0.0189  1.0
  Tb  Tb1  4  0.0000  0.1211  0.6798  1.0
  Tb  Tb2  4  0.0000  0.1331  0.3042  1.0
  Ga  Ga3  4  0.0000  0.4308  0.4558  1.0
  Se  Se4  4  0.0000  0.0429  0.0716  1.0
  Se  Se5  4  0.0000  0.2912  0.6698  1.0
  Se  Se6  4  0.0000  0.3145  0.3459  1.0
  Se  Se7  4  0.0000  0.3571  0.9985  1.0
  Se  Se8  4  0.0000  0.4987  0.7794  1.0
]