data_[Tm6Pd14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1955]
_cell_length_b [4.1891]
_cell_length_c [5.7844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5221]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm3Pd7]
_chemical_formula_sum '[Tm6 Pd14]'
_cell_volume [356.4469]
_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  0.1881  0.0000  0.6318  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  4  0.0979  0.5000  0.8150  1.0
  Pd  Pd3  4  0.1016  0.5000  0.3177  1.0
  Pd  Pd4  4  0.2003  0.0000  0.1252  1.0
  Pd  Pd5  2  0.0000  0.0000  0.5000  1.0
]