data_[Tm1Sb4Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sb  2.0500  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.7668]
_cell_length_b [7.7668]
_cell_length_c [4.1602]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Tm(Sb2Pd3)2]
_chemical_formula_sum '[Tm1 Sb4 Pd6]'
_cell_volume [217.3336]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb1  3  0.3735  0.1867  0.5000  1.0
  Sb  Sb2  1  0.3333  0.6667  0.0000  1.0
  Pd  Pd3  3  0.1997  0.3994  0.5000  1.0
  Pd  Pd4  3  0.5377  0.0754  0.0000  1.0
]