data_[Tb8Se4Cl12]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.2025]
_cell_length_b [4.1622]
_cell_length_c [12.7103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4780]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb2SeCl3]
_chemical_formula_sum '[Tb8 Se4 Cl12]'
_cell_volume [706.5933]
_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  0.1039  0.5000  0.4467  1
  Tb  Tb1  4  0.1301  0.0000  0.8353  1
  Se  Se2  4  0.1148  0.5000  0.6823  1
  Cl  Cl3  4  0.0649  0.0000  0.2710  1
  Cl  Cl4  4  0.1614  0.5000  0.0086  1
  Cl  Cl5  4  0.2322  0.0000  0.5894  1
]