data_[Tm16P24Pd20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.9910]
_cell_length_b [18.3517]
_cell_length_c [14.5092]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Tm4P6Pd5]
_chemical_formula_sum '[Tm16 P24 Pd20]'
_cell_volume [1062.6764]
_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  0.0000  0.0104  0.5091  1
  Tm  Tm1  4  0.0000  0.0366  0.7687  1
  Tm  Tm2  4  0.0000  0.1651  0.3014  1
  Tm  Tm3  4  0.0000  0.1839  0.9450  1
  P  P4  4  0.0000  0.1157  0.1172  1
  P  P5  4  0.0000  0.2192  0.4883  1
  P  P6  4  0.0000  0.2349  0.7609  1
  P  P7  4  0.0000  0.4262  0.1293  1
  P  P8  4  0.0000  0.4309  0.4062  1
  P  P9  4  0.0000  0.4471  0.8525  1
  Pd  Pd10  4  0.0000  0.1507  0.6306  1
  Pd  Pd11  4  0.0000  0.3042  0.6166  1
  Pd  Pd12  4  0.0000  0.3413  0.2836  1
  Pd  Pd13  4  0.0000  0.3586  0.9698  1
  Pd  Pd14  4  0.0000  0.4472  0.6762  1
]