data_[Tb22In18Cu8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.5475]
_cell_length_b [21.8714]
_cell_length_c [3.7210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tb11In9Cu4]
_chemical_formula_sum '[Tb22 In18 Cu8]'
_cell_volume [1183.9334]
_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  8  0.2437  0.1711  0.0000  1
  Tb  Tb1  4  0.0000  0.1613  0.0000  1
  Tb  Tb2  4  0.0000  0.3723  0.0000  1
  Tb  Tb3  4  0.1918  0.5000  0.0000  1
  Tb  Tb4  2  0.0000  0.0000  0.0000  1
  In  In5  8  0.1054  0.2631  0.5000  1
  In  In6  8  0.1461  0.0720  0.5000  1
  In  In7  2  0.0000  0.5000  0.5000  1
  Cu  Cu8  8  0.1503  0.4001  0.5000  1
]