data_[Tm12Sn12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.0827]
_cell_length_b [4.4636]
_cell_length_c [14.6965]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3Sn3Pd]
_chemical_formula_sum '[Tm12 Sn12 Pd4]'
_cell_volume [689.8337]
_cell_formula_units_Z [4]
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  0.0283  0.5000  0.3810  1
  Tm  Tm1  4  0.0961  0.5000  0.9218  1
  Tm  Tm2  4  0.2326  0.5000  0.2311  1
  Sn  Sn3  4  0.0145  0.0000  0.2326  1
  Sn  Sn4  4  0.1317  0.0000  0.0757  1
  Sn  Sn5  4  0.1396  0.0000  0.5447  1
  Pd  Pd6  4  0.2328  0.0000  0.3853  1
]