data_[Tm2Mg4Pd16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.3645]
_cell_length_b [4.1151]
_cell_length_c [6.3773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4420]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm(MgPd4)2]
_chemical_formula_sum '[Tm2 Mg4 Pd16]'
_cell_volume [361.5592]
_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  2  0.0000  0.5000  0.0000  1.0
  Mg  Mg1  4  0.2232  0.0000  0.6539  1.0
  Pd  Pd2  4  0.0422  0.0000  0.7218  1.0
  Pd  Pd3  4  0.0961  0.5000  0.4652  1.0
  Pd  Pd4  4  0.1427  0.0000  0.1939  1.0
  Pd  Pd5  4  0.1818  0.5000  0.9155  1.0
]