data_[Tb3Mg3Cd51]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [10.0165]
_cell_length_b [10.0165]
_cell_length_c [15.4002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [TbMgCd17]
_chemical_formula_sum '[Tb3 Mg3 Cd51]'
_cell_volume [1338.0880]
_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  0.6681  1
  Mg  Mg1  3  0.0000  0.0000  0.4039  1
  Cd  Cd2  18  0.0035  0.3087  0.9965  1
  Cd  Cd3  9  0.1749  0.3498  0.4751  1
  Cd  Cd4  9  0.1798  0.3596  0.8326  1
  Cd  Cd5  9  0.1868  0.8132  0.1843  1
  Cd  Cd6  3  0.0000  0.0000  0.0828  1
  Cd  Cd7  3  0.0000  0.0000  0.8901  1
]