data_[Tm22Cd18Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cd  1.6900  1.5500  1.0900
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [14.4882]
_cell_length_b [21.8214]
_cell_length_c [3.5877]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tm11Cd9Pd4]
_chemical_formula_sum '[Tm22 Cd18 Pd8]'
_cell_volume [1134.2654]
_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
[
  Tm  Tm0  8  0.2443  0.1700  0.0000  1
  Tm  Tm1  4  0.0000  0.1613  0.0000  1
  Tm  Tm2  4  0.0000  0.3699  0.0000  1
  Tm  Tm3  4  0.1965  0.5000  0.0000  1
  Tm  Tm4  2  0.0000  0.0000  0.0000  1
  Cd  Cd5  8  0.1059  0.2604  0.5000  1
  Cd  Cd6  8  0.1420  0.0725  0.5000  1
  Cd  Cd7  2  0.0000  0.5000  0.5000  1
  Pd  Pd8  8  0.1497  0.4001  0.5000  1
]