data_[Tb16Cu2Tc4]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5081]
_cell_length_b [12.7726]
_cell_length_c [5.8911]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tb8CuTc2]
_chemical_formula_sum '[Tb16 Cu2 Tc4]'
_cell_volume [603.4949]
_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  0.2042  0.1318  0.6144  1
  Tb  Tb1  4  0.2847  0.3671  0.4133  1
  Tb  Tb2  4  0.4963  0.2840  0.0101  1
  Tb  Tb3  2  0.1306  0.5000  0.8158  1
  Tb  Tb4  2  0.3695  0.0000  0.2134  1
  Tc  Tc5  4  0.4969  0.1903  0.5199  1
  Cu  Cu6  2  0.0016  0.0000  0.8557  1
]