data_[Tb4Si4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8089]
_cell_length_b [7.5591]
_cell_length_c [11.5281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TbSiSe3]
_chemical_formula_sum '[Tb4 Si4 Se12]'
_cell_volume [495.7888]
_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
[
  Tb  Tb0  4  0.2937  0.1258  0.7495  1.0
  Si  Si1  4  0.3564  0.6017  0.9352  1.0
  Se  Se2  4  0.0794  0.0264  0.2300  1.0
  Se  Se3  4  0.2196  0.6918  0.0674  1.0
  Se  Se4  4  0.4191  0.1747  0.0700  1.0
]