data_[Tm16Fe2Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.8950]
_cell_length_b [5.0283]
_cell_length_c [6.6728]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3733]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8FePd2]
_chemical_formula_sum '[Tm16 Fe2 Pd4]'
_cell_volume [541.0117]
_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  4  0.0298  0.0000  0.7958  1.0
  Tm  Tm1  4  0.0907  0.5000  0.4325  1.0
  Tm  Tm2  4  0.1617  0.5000  0.9657  1.0
  Tm  Tm3  4  0.2006  0.0000  0.3072  1.0
  Fe  Fe4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  4  0.1861  0.0000  0.7092  1.0
]