data_[Tb3Cu3Ni12Sn6]
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
  Ni  1.9100  1.3500  0.7400
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2297]
_cell_length_b [4.2297]
_cell_length_c [24.2746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TbCu(Ni2Sn)2]
_chemical_formula_sum '[Tb3 Cu3 Ni12 Sn6]'
_cell_volume [376.1039]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Cu  Cu1  3  -0.0000  -0.0000  0.5000  1.0
  Ni  Ni2  6  0.0000  0.0000  0.1320  1.0
  Ni  Ni3  6  0.0000  0.0000  0.4015  1.0
  Sn  Sn4  6  0.0000  0.0000  0.2408  1.0
]