data_[Tm16Cu24Pd8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.8683]
_cell_length_b [8.5541]
_cell_length_c [14.7806]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Tm2Cu3Pd]
_chemical_formula_sum '[Tm16 Cu24 Pd8]'
_cell_volume [868.3897]
_cell_formula_units_Z [8]
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  0.2486  0.0000  0.5000  1.0
  Tm  Tm1  8  0.2500  0.2500  0.2500  1.0
  Cu  Cu2  16  0.0000  0.2437  0.0809  1.0
  Cu  Cu3  8  0.0000  0.0000  0.1629  1.0
  Pd  Pd4  8  0.0000  0.0000  0.3332  1.0
]