data_[Tm16Tc4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tc  1.9000  1.3500  0.7417
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.4925]
_cell_length_b [4.2673]
_cell_length_c [18.0189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tm4TcPd]
_chemical_formula_sum '[Tm16 Tc4 Pd4]'
_cell_volume [576.1185]
_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  0.0064  0.2500  0.4279  1
  Tm  Tm1  4  0.0718  0.2500  0.7187  1
  Tm  Tm2  4  0.0978  0.2500  0.1470  1
  Tm  Tm3  4  0.1485  0.2500  0.9559  1
  Tc  Tc4  4  0.2499  0.7500  0.0622  1
  Pd  Pd5  4  0.2280  0.2500  0.2984  1
]