data_[Tb6Cu2Sn2Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [10.2776]
_cell_length_b [10.2776]
_cell_length_c [6.5076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [Tb3CuSnSe7]
_chemical_formula_sum '[Tb6 Cu2 Sn2 Se14]'
_cell_volume [595.2930]
_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  6  0.1505  0.7930  0.9014  1
  Cu  Cu1  2  0.0000  0.0000  0.0002  1
  Sn  Sn2  2  0.3333  0.6667  0.3297  1
  Se  Se3  6  0.0787  0.5180  0.1480  1
  Se  Se4  6  0.1158  0.8516  0.4734  1
  Se  Se5  2  0.3333  0.6667  0.7222  1
]