data_[Li4Tb4Mn4Se12]
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
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8381]
_cell_length_b [4.0998]
_cell_length_c [11.6344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [LiTbMnSe3]
_chemical_formula_sum '[Li4 Tb4 Mn4 Se12]'
_cell_volume [564.6598]
_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  0.1265  0.2500  0.9881  1
  Tb  Tb1  4  0.0314  0.2500  0.3201  1
  Mn  Mn2  4  0.2427  0.2500  0.7129  1
  Se  Se3  4  0.0612  0.7500  0.1390  1
  Se  Se4  4  0.0945  0.2500  0.5681  1
  Se  Se5  4  0.2167  0.7500  0.8363  1
]