data_[Tb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3199]
_cell_length_b [5.6783]
_cell_length_c [9.5405]
_cell_angle_alpha [76.1181]
_cell_angle_beta [86.2832]
_cell_angle_gamma [89.2491]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TbSe3]
_chemical_formula_sum '[Tb2 Se6]'
_cell_volume [226.7130]
_cell_formula_units_Z [2]
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
[
  Tb  Tb0  1  0.2615  0.1983  0.6393  1.0
  Tb  Tb1  1  0.7314  0.8041  0.3634  1.0
  Se  Se2  1  0.2161  0.7245  0.5701  1.0
  Se  Se3  1  0.2643  0.0470  0.1601  1.0
  Se  Se4  1  0.4513  0.6866  0.1155  1.0
  Se  Se5  1  0.5688  0.3182  0.8741  1.0
  Se  Se6  1  0.7320  0.9425  0.8454  1.0
  Se  Se7  1  0.7746  0.2788  0.4320  1.0
]