data_[Tb12Sn4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.3084]
_cell_length_b [12.6511]
_cell_length_c [7.3086]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3381]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tb3SnSe2]
_chemical_formula_sum '[Tb12 Sn4 Se8]'
_cell_volume [637.6277]
_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  8  0.2409  0.0859  0.4966  1.0
  Tb  Tb1  4  0.2500  0.2500  0.0000  1.0
  Sn  Sn2  4  0.0000  0.4186  0.7500  1.0
  Se  Se3  4  0.0000  0.0837  0.7500  1.0
  Se  Se4  4  0.0000  0.2520  0.2500  1.0
]