data_[Tb6Mg3Cu36Ni9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4835]
_cell_length_b [8.4835]
_cell_length_c [12.3329]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tb2Mg(Cu4Ni)3]
_chemical_formula_sum '[Tb6 Mg3 Cu36 Ni9]'
_cell_volume [768.6813]
_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  6  0.0000  0.0000  0.2596  1
  Mg  Mg1  3  0.0000  0.0000  0.0000  1
  Cu  Cu2  18  0.0080  0.5040  0.7055  1
  Cu  Cu3  18  0.0435  0.5217  0.1019  1
  Ni  Ni4  9  0.0000  0.5000  0.5000  1
]