data_[Tb12Ni2Se10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1112]
_cell_length_b [12.2937]
_cell_length_c [7.0863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tb6NiSe5]
_chemical_formula_sum '[Tb12 Ni2 Se10]'
_cell_volume [583.1411]
_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  8  0.2333  0.1566  0.2346  1
  Tb  Tb1  4  0.2338  0.0000  0.7595  1
  Ni  Ni2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1765  0.5000  1
  Se  Se4  4  0.0000  0.3348  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]