data_[Tb6Tl6Cu4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5406]
_cell_length_b [4.8309]
_cell_length_c [17.0762]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tb3Tl3Cu2]
_chemical_formula_sum '[Tb6 Tl6 Cu4]'
_cell_volume [374.5733]
_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  0.0000  0.0000  0.1532  1.0
  Tb  Tb1  2  0.0000  0.5000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.0000  0.3516  1.0
  Tl  Tl3  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu4  4  0.0000  0.5000  0.2428  1.0
]