data_[Tb12C6Se4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.1364]
_cell_length_b [3.7549]
_cell_length_c [7.9588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6C3Se2Cl]
_chemical_formula_sum '[Tb12 C6 Se4 Cl2]'
_cell_volume [487.5290]
_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  4  0.0121  0.0000  0.7169  1.0
  Tb  Tb1  4  0.1576  0.5000  0.6076  1.0
  Tb  Tb2  4  0.1791  0.5000  0.0562  1.0
  Se  Se3  4  0.1634  0.0000  0.3269  1.0
  C  C4  4  0.1665  0.0000  0.8340  1.0
  C  C5  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl6  2  0.0000  0.5000  0.0000  1.0
]