data_[Tb6Ga12Cu18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ga  1.8100  1.3000  0.7600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.9781]
_cell_length_b [4.0136]
_cell_length_c [9.6361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbGa2Cu3]
_chemical_formula_sum '[Tb6 Ga12 Cu18]'
_cell_volume [594.3620]
_cell_formula_units_Z [6]
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  0.1561  0.0000  0.7096  1
  Tb  Tb1  2  0.0000  0.0000  0.0000  1
  Ga  Ga2  4  0.0165  0.5000  0.7648  1
  Ga  Ga3  4  0.1510  0.5000  0.4646  1
  Ga  Ga4  4  0.2071  0.0000  0.0971  1
  Cu  Cu5  4  0.0511  0.0000  0.3712  1
  Cu  Cu6  4  0.1328  0.5000  0.1980  1
  Cu  Cu7  4  0.1496  0.5000  0.9525  1
  Cu  Cu8  4  0.2069  0.0000  0.3565  1
  Cu  Cu9  2  0.0000  0.5000  0.5000  1
]