data_[Tb12Tl4Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2235]
_cell_length_b [7.1170]
_cell_length_c [12.5329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9987]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tb6Tl2Ni]
_chemical_formula_sum '[Tb12 Tl4 Ni2]'
_cell_volume [527.8028]
_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  0.1782  0.7235  0.9665  1.0
  Tb  Tb1  4  0.2499  0.2180  0.9668  1.0
  Tb  Tb2  4  0.3177  0.5027  0.7477  1.0
  Tl  Tl3  4  0.2403  0.5313  0.2477  1.0
  Ni  Ni4  2  0.5000  0.0000  0.5000  1.0
]